CID 1490324

Trans-4-propylcyclohexanecarboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCCC1CCC(CC1)C(=O)O

InChI

InChI=1S/C10H18O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)

InChIKey

QCNUKEGGHOLBES-UHFFFAOYSA-N

Compound name

4-propylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 605
Patents: 170.13068 Da
Monoisotopic Mass: 3.2
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	139.5
[M+Na]+	193.11990	149.1
[M+NH4]+	188.16450	147.6
[M+K]+	209.09384	143.6
[M-H]-	169.12340	140.4
[M+Na-2H]-	191.10535	143.1
[M]+	170.13013	140.8
[M]-	170.13123	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe