KEGG   COMPOUND: C19280
Entry
C19280                      Compound                               
Name
3-(N-Nitrosomethylamino)propionitrile;
3-(Methylnitrosamino)propionitrile
Formula
C4H7N3O
Exact mass
113.0589
Mol weight
113.1179
Structure
Other DBs
CAS: 60153-49-3
PubChem: 124489952
ChEBI: 82359
KCF data

ATOM        8
            1   N1c N    21.2100  -16.1700
            2   C1b C    22.4224  -16.8700
            3   C1a C    19.9976  -16.8700
            4   N2b N    21.2100  -14.7700
            5   O3a O    22.4224  -14.0700
            6   C1b C    23.6179  -16.1796
            7   C3b C    24.8053  -16.8651
            8   N3a N    25.9965  -16.1771
BOND        7
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     4   5 2
            5     2   6 1
            6     6   7 1
            7     7   8 3

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