CID 90197

23585-77-5

Structural Information

Molecular Formula
C8H12N4O3
SMILES
CC1=CN=C(N1CC(=O)N(C)C)[N+](=O)[O-]
InChI
InChI=1S/C8H12N4O3/c1-6-4-9-8(12(14)15)11(6)5-7(13)10(2)3/h4H,5H2,1-3H3
InChIKey
FYGCJWVUNPQAFB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-methyl-2-nitroimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09094 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09822 143.7
[M+Na]+ 235.08016 151.3
[M-H]- 211.08366 146.9
[M+NH4]+ 230.12476 161.3
[M+K]+ 251.05410 147.5
[M+H-H2O]+ 195.08820 140.9
[M+HCOO]- 257.08914 168.9
[M+CH3COO]- 271.10479 186.7
[M+Na-2H]- 233.06561 149.1
[M]+ 212.09039 144.7
[M]- 212.09149 144.7
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.