CID 75787

5-methoxysalicylic acid

Structural Information

Molecular Formula

C₈H₈O₄

SMILES

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

InChI

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

InChIKey

IZZIWIAOVZOBLF-UHFFFAOYSA-N

Compound name

2-hydroxy-5-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 30
References: 8177
Patents: 168.04225 Da
Monoisotopic Mass: 2.5
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	131.9
[M+Na]+	191.03147	143.6
[M+NH4]+	186.07607	138.9
[M+K]+	207.00541	139.6
[M-H]-	167.03497	131.9
[M+Na-2H]-	189.01692	137.0
[M]+	168.04170	133.3
[M]-	168.04280	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe