CID 11370

2-methoxybenzoic acid

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

COC1=CC=CC=C1C(=O)O

InChI

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

InChIKey

ILUJQPXNXACGAN-UHFFFAOYSA-N

Compound name

2-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 122
References: 38152
Patents: 152.04735 Da
Monoisotopic Mass: 1.6
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	127.6
[M+Na]+	175.03657	135.9
[M-H]-	151.04007	130.4
[M+NH4]+	170.08117	148.1
[M+K]+	191.01051	134.8
[M+H-H2O]+	135.04461	122.4
[M+HCOO]-	197.04555	150.9
[M+CH3COO]-	211.06120	172.8
[M+Na-2H]-	173.02202	134.0
[M]+	152.04680	128.6
[M]-	152.04790	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe