CID 52943237

5-methyl-2-(3-methylphenyl)-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=CC(=CC=C1)C2=NC(=C(N2)C)C(=O)O
InChI
InChI=1S/C12H12N2O2/c1-7-4-3-5-9(6-7)11-13-8(2)10(14-11)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKey
QKGAYNNYZHJULN-UHFFFAOYSA-N
Compound name
5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

216.08987 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 147.2
[M+Na]+ 239.079088 156.4
[M-H]- 215.082594 149.6
[M+NH4]+ 234.123693 163.8
[M+K]+ 255.053028 152.1
[M+H-H2O]+ 199.087130 140.0
[M+HCOO]- 261.088071 167.0
[M+CH3COO]- 275.103721 183.8
[M+Na-2H]- 237.064536 149.5
[M]+ 216.08932142 146.4
[M]- 216.09041858 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe