CID 61148

Refchem:927287

Structural Information

Molecular Formula
CH4N2O2
SMILES
C(N)[N+](=O)[O-]
InChI
InChI=1S/CH4N2O2/c2-1-3(4)5/h1-2H2
InChIKey
KHXLYFSTSOVKSI-UHFFFAOYSA-N
Compound name
nitromethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

214
Patents

76.027275 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.034551 107.8
[M+Na]+ 99.016493 115.5
[M-H]- 75.019999 108.3
[M+NH4]+ 94.061098 130.7
[M+K]+ 114.99043 112.4
[M+H-H2O]+ 59.024535 108.3
[M+HCOO]- 121.02548 135.0
[M+CH3COO]- 135.04113 156.9
[M+Na-2H]- 97.001941 117.4
[M]+ 76.026726 104.4
[M]- 76.027824 104.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.