CID 248474

P-tolylacetic acid

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

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

InChI

InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey

GXXXUZIRGXYDFP-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 4121
Patents: 150.06808 Da
Monoisotopic Mass: 1.9
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]+	151.07536	130.1
[M+Na]+	173.05730	142.7
[M+NH4]+	168.10190	138.5
[M+K]+	189.03124	136.9
[M-H]-	149.06080	131.6
[M+Na-2H]-	171.04275	136.8
[M]+	150.06753	132.2
[M]-	150.06863	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe