CID 384841

Nsc675359

Structural Information

Molecular Formula
C7H10N4O4
SMILES
CNC(=O)OCC1=CN=C(N1C)[N+](=O)[O-]
InChI
InChI=1S/C7H10N4O4/c1-8-7(12)15-4-5-3-9-6(10(5)2)11(13)14/h3H,4H2,1-2H3,(H,8,12)
InChIKey
XRSCTFILGIZFCW-UHFFFAOYSA-N
Compound name
(3-methyl-2-nitroimidazol-4-yl)methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.0702 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07748 142.1
[M+Na]+ 237.05942 149.7
[M-H]- 213.06292 144.0
[M+NH4]+ 232.10402 158.9
[M+K]+ 253.03336 145.4
[M+H-H2O]+ 197.06746 139.3
[M+HCOO]- 259.06840 167.2
[M+CH3COO]- 273.08405 181.6
[M+Na-2H]- 235.04487 148.9
[M]+ 214.06965 142.7
[M]- 214.07075 142.7
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

patents stripe