CID 54592928

2-(1h-imidazol-1-yl)-5-methylbenzoic acid

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=CC(=C(C=C1)N2C=CN=C2)C(=O)O
InChI
InChI=1S/C11H10N2O2/c1-8-2-3-10(9(6-8)11(14)15)13-5-4-12-7-13/h2-7H,1H3,(H,14,15)
InChIKey
LGYWONXHPYENRN-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-5-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

202.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 142.1
[M+Na]+ 225.063448 151.3
[M-H]- 201.066954 145.6
[M+NH4]+ 220.108053 159.6
[M+K]+ 241.037388 148.1
[M+H-H2O]+ 185.071490 134.5
[M+HCOO]- 247.072431 163.8
[M+CH3COO]- 261.088081 182.0
[M+Na-2H]- 223.048896 146.1
[M]+ 202.07368142 142.4
[M]- 202.07477858 142.4
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