CID 45157073

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

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CC1=C(N=C(N1)C2=CC(=CC=C2)OC)C(=O)O

InChI

InChI=1S/C12H12N2O3/c1-7-10(12(15)16)14-11(13-7)8-4-3-5-9(6-8)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16)

InChIKey

AUDLYIASJFZXMS-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 232.0848 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	233.092076	150.0
[M+Na]+	255.074018	159.1
[M-H]-	231.077524	152.4
[M+NH4]+	250.118623	165.9
[M+K]+	271.047958	155.4
[M+H-H2O]+	215.082060	142.6
[M+HCOO]-	277.083001	170.1
[M+CH3COO]-	291.098651	185.9
[M+Na-2H]-	253.059466	152.4
[M]+	232.08425142	150.7
[M]-	232.08534858	150.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.