CID 20554443

2-azido-n-methylacetamide

Structural Information

Molecular Formula
C3H6N4O
SMILES
CNC(=O)CN=[N+]=[N-]
InChI
InChI=1S/C3H6N4O/c1-5-3(8)2-6-7-4/h2H2,1H3,(H,5,8)
InChIKey
AKGIDMWPOLTCLT-UHFFFAOYSA-N
Compound name
2-azido-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

114.05416 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.061436 117.7
[M+Na]+ 137.043378 124.3
[M-H]- 113.046884 121.1
[M+NH4]+ 132.087983 140.0
[M+K]+ 153.017318 121.0
[M+H-H2O]+ 97.051420 116.6
[M+HCOO]- 159.052361 149.7
[M+CH3COO]- 173.068011 173.7
[M+Na-2H]- 135.028826 128.6
[M]+ 114.05361142 115.0
[M]- 114.05470858 115.0
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