CID 75200

4-cyclohexylbutyric acid

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

C1CCC(CC1)CCCC(=O)O

InChI

InChI=1S/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12)

InChIKey

UVZMNGNFERVGRC-UHFFFAOYSA-N

Compound name

4-cyclohexylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 6
References: 4152
Patents: 170.13068 Da
Monoisotopic Mass: 3.4
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]+	171.13796	140.2
[M+Na]+	193.11990	149.4
[M+NH4]+	188.16450	148.2
[M+K]+	209.09384	143.7
[M-H]-	169.12340	141.0
[M+Na-2H]-	191.10535	143.9
[M]+	170.13013	141.4
[M]-	170.13123	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe