CID 6738

3-methylsalicylic acid

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

CC1=C(C(=CC=C1)C(=O)O)O

InChI

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

InChIKey

WHSXTWFYRGOBGO-UHFFFAOYSA-N

Compound name

2-hydroxy-3-methylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 30
References: 19781
Patents: 152.04735 Da
Monoisotopic Mass: 2.9
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	128.8
[M+Na]+	175.03657	141.0
[M+NH4]+	170.08117	136.5
[M+K]+	191.01051	136.5
[M-H]-	151.04007	129.4
[M+Na-2H]-	173.02202	134.4
[M]+	152.04680	130.5
[M]-	152.04790	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe