CID 6375

Nitromethane

Structural Information

Molecular Formula
CH3NO2
SMILES
C[N+](=O)[O-]
InChI
InChI=1S/CH3NO2/c1-2(3)4/h1H3
InChIKey
LYGJENNIWJXYER-UHFFFAOYSA-N
Compound name
nitromethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

556
References

49480
Patents

61.016376 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 62.023652 104.2
[M+Na]+ 84.005594 116.5
[M+NH4]+ 79.050199 113.3
[M+K]+ 99.979534 114.2
[M-H]- 60.009100 105.6
[M+Na-2H]- 81.991042 109.6
[M]+ 61.015827 106.1
[M]- 61.016925 106.1
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