CID 11461

3-methoxybenzoic acid

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

COC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey

XHQZJYCNDZAGLW-UHFFFAOYSA-N

Compound name

3-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 32
References: 5629
Patents: 152.04735 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]+	153.05463	128.7
[M+Na]+	175.03657	141.0
[M+NH4]+	170.08117	136.7
[M+K]+	191.01051	136.0
[M-H]-	151.04007	129.7
[M+Na-2H]-	173.02202	135.1
[M]+	152.04680	130.6
[M]-	152.04790	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe