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]+ 103.050206 115.7
[M+Na]+ 125.032148 123.4
[M-H]- 101.035654 119.5
[M+NH4]+ 120.076753 139.6
[M+K]+ 141.006088 126.4
[M+H-H2O]+ 85.040190 110.5
[M+HCOO]- 147.041131 144.4
[M+CH3COO]- 161.056781 176.2
[M+Na-2H]- 123.017596 123.4
[M]+ 102.04238142 118.2
[M]- 102.04347858 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

literature stripe

Patent stripe

patents stripe