CID 53416261

2-(3-nitrophenyl)-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H7N3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=C(N2)C(=O)O
InChI
InChI=1S/C10H7N3O4/c14-10(15)8-5-11-9(12-8)6-2-1-3-7(4-6)13(16)17/h1-5H,(H,11,12)(H,14,15)
InChIKey
INJFFHQKNQTVIJ-UHFFFAOYSA-N
Compound name
2-(3-nitrophenyl)-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.04366 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.050936 145.7
[M+Na]+ 256.032878 152.8
[M-H]- 232.036384 148.1
[M+NH4]+ 251.077483 160.0
[M+K]+ 272.006818 145.4
[M+H-H2O]+ 216.040920 142.5
[M+HCOO]- 278.041861 167.2
[M+CH3COO]- 292.057511 177.5
[M+Na-2H]- 254.018326 151.9
[M]+ 233.04311142 142.2
[M]- 233.04420858 142.2
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.