CID 108081

N-nitrosomethylamine

Structural Information

Molecular Formula
CH4N2O
SMILES
CNN=O
InChI
InChI=1S/CH4N2O/c1-2-3-4/h1H3,(H,2,4)
InChIKey
CIJBKNZDKBKMFU-UHFFFAOYSA-N
Compound name
N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

727
Patents

60.032364 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 61.039640 104.3
[M+Na]+ 83.021582 112.5
[M-H]- 59.025088 106.8
[M+NH4]+ 78.066187 129.3
[M+K]+ 98.995522 114.4
[M+H-H2O]+ 43.029624 99.7
[M+HCOO]- 105.03056 133.7
[M+CH3COO]- 119.04622 165.3
[M+Na-2H]- 81.007030 115.1
[M]+ 60.031815 104.8
[M]- 60.032913 104.8
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