CID 57929687

3,5-dicyclopropylbenzoic acid

Structural Information

Molecular Formula

C₁₃H₁₄O₂

SMILES

C1CC1C2=CC(=CC(=C2)C(=O)O)C3CC3

InChI

InChI=1S/C13H14O2/c14-13(15)12-6-10(8-1-2-8)5-11(7-12)9-3-4-9/h5-9H,1-4H2,(H,14,15)

InChIKey

LCIRPHOZLHVGCS-UHFFFAOYSA-N

Compound name

3,5-dicyclopropylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 202.09938 Da
Monoisotopic Mass: 3.3
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]+	203.10666	128.3
[M+Na]+	225.08860	141.8
[M+NH4]+	220.13320	137.1
[M+K]+	241.06254	140.1
[M-H]-	201.09210	143.9
[M+Na-2H]-	223.07405	140.8
[M]+	202.09883	136.6
[M]-	202.09993	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe