CID 23898

N-methyl-n-nitrosoacetamide

Structural Information

Molecular Formula
C3H6N2O2
SMILES
CC(=O)N(C)N=O
InChI
InChI=1S/C3H6N2O2/c1-3(6)5(2)4-7/h1-2H3
InChIKey
FFLFWNRFMZRFKU-UHFFFAOYSA-N
Compound name
N-methyl-N-nitrosoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
Patents

102.04293 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.05021 115.7
[M+Na]+ 125.03215 123.4
[M-H]- 101.03565 119.5
[M+NH4]+ 120.07675 139.6
[M+K]+ 141.00609 126.4
[M+H-H2O]+ 85.040190 110.5
[M+HCOO]- 147.04113 144.4
[M+CH3COO]- 161.05678 176.2
[M+Na-2H]- 123.01760 123.4
[M]+ 102.04238 118.2
[M]- 102.04348 118.2
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.