CID 297706

101564-26-5

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CCCCCCCCCC1CCC(CC1)C(=O)O

InChI

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h14-15H,2-13H2,1H3,(H,17,18)

InChIKey

ZSIQDVRFEYRRQX-UHFFFAOYSA-N

Compound name

4-nonylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 254.22458 Da
Monoisotopic Mass: 6.5
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]+	255.23186	166.1
[M+Na]+	277.21380	174.4
[M+NH4]+	272.25840	173.1
[M+K]+	293.18774	167.5
[M-H]-	253.21730	166.7
[M+Na-2H]-	275.19925	168.0
[M]+	254.22403	167.1
[M]-	254.22513	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe