CID 282064

4-cyclopropylbenzoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1CC1C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C10H10O2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,11,12)

InChIKey

GJCRWEAWEDESNZ-UHFFFAOYSA-N

Compound name

4-cyclopropylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 209
Patents: 162.06808 Da
Monoisotopic Mass: 2.8
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]+	163.07536	135.4
[M+Na]+	185.05730	149.3
[M+NH4]+	180.10190	144.6
[M+K]+	201.03124	144.8
[M-H]-	161.06080	145.1
[M+Na-2H]-	183.04275	145.3
[M]+	162.06753	141.2
[M]-	162.06863	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe