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

800
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.