CID 138040514

1-(4-formylphenyl)-1h-imidazole-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CC(=CC=C1C=O)N2C=C(N=C2)C(=O)O
InChI
InChI=1S/C11H8N2O3/c14-6-8-1-3-9(4-2-8)13-5-10(11(15)16)12-7-13/h1-7H,(H,15,16)
InChIKey
OIVXZDILAPTFOY-UHFFFAOYSA-N
Compound name
1-(4-formylphenyl)imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0535 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.060776 144.0
[M+Na]+ 239.042718 153.3
[M-H]- 215.046224 147.5
[M+NH4]+ 234.087323 160.7
[M+K]+ 255.016658 150.1
[M+H-H2O]+ 199.050760 136.2
[M+HCOO]- 261.051701 166.0
[M+CH3COO]- 275.067351 183.3
[M+Na-2H]- 237.028166 148.0
[M]+ 216.05295142 144.9
[M]- 216.05404858 144.9
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.