CID 421670

N-nitromethylamine

Structural Information

Molecular Formula
CH4N2O2
SMILES
CN[N+](=O)[O-]
InChI
InChI=1S/CH4N2O2/c1-2-3(4)5/h2H,1H3
InChIKey
ARCZSDSOONGBRX-UHFFFAOYSA-N
Compound name
N-methylnitramide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

174
Patents

76.027275 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.034551 107.5
[M+Na]+ 99.016493 115.2
[M-H]- 75.019999 108.6
[M+NH4]+ 94.061098 130.7
[M+K]+ 114.99043 112.4
[M+H-H2O]+ 59.024535 108.0
[M+HCOO]- 121.02548 135.3
[M+CH3COO]- 135.04113 157.7
[M+Na-2H]- 97.001941 118.1
[M]+ 76.026726 105.1
[M]- 76.027824 105.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe