CID 23440817

29121-56-0

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

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

InChI

InChI=1S/C9H10O3/c1-6-4-7(5-9(11)12)2-3-8(6)10/h2-4,10H,5H2,1H3,(H,11,12)

InChIKey

JQJMAHBZVDMIIT-UHFFFAOYSA-N

Compound name

2-(4-hydroxy-3-methylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 166.06299 Da
Monoisotopic Mass: 1.4
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]+	167.07027	132.3
[M+Na]+	189.05221	140.7
[M-H]-	165.05571	134.0
[M+NH4]+	184.09681	151.9
[M+K]+	205.02615	138.5
[M+H-H2O]+	149.06025	127.5
[M+HCOO]-	211.06119	153.8
[M+CH3COO]-	225.07684	174.5
[M+Na-2H]-	187.03766	137.0
[M]+	166.06244	132.3
[M]-	166.06354	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe