CID 75231

4-methoxysalicylic acid

Structural Information

Molecular Formula

C₈H₈O₄

SMILES

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

InChI

InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)

InChIKey

MRIXVKKOHPQOFK-UHFFFAOYSA-N

Compound name

2-hydroxy-4-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 26
References: 3868
Patents: 168.04225 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]+	169.04953	130.6
[M+Na]+	191.03147	139.2
[M-H]-	167.03497	132.3
[M+NH4]+	186.07607	150.0
[M+K]+	207.00541	137.9
[M+H-H2O]+	151.03951	125.6
[M+HCOO]-	213.04045	152.6
[M+CH3COO]-	227.05610	173.6
[M+Na-2H]-	189.01692	135.8
[M]+	168.04170	131.6
[M]-	168.04280	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.