CID 34170

2-ethylbenzoic acid

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

CCC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C9H10O2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3,(H,10,11)

InChIKey

CGMMPMYKMDITEA-UHFFFAOYSA-N

Compound name

2-ethylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 10108
Patents: 150.06808 Da
Monoisotopic Mass: 1.8
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