CID 39202212

1318776-59-8

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CN1C=CN=C1COC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H12N2O3/c1-14-7-6-13-11(14)8-17-10-4-2-9(3-5-10)12(15)16/h2-7H,8H2,1H3,(H,15,16)

InChIKey

FRSXOQOLPYKWIS-UHFFFAOYSA-N

Compound name

4-[(1-methylimidazol-2-yl)methoxy]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 232.0848 Da
Monoisotopic Mass: 1.0
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]+	233.09208	149.6
[M+Na]+	255.07402	158.1
[M-H]-	231.07752	152.9
[M+NH4]+	250.11862	165.8
[M+K]+	271.04796	155.3
[M+H-H2O]+	215.08206	141.5
[M+HCOO]-	277.08300	171.1
[M+CH3COO]-	291.09865	187.1
[M+Na-2H]-	253.05947	153.1
[M]+	232.08425	151.6
[M]-	232.08535	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe