CID 20514

Octadecylcyclohexane

Structural Information

Molecular Formula

C₂₄H₄₈

SMILES

CCCCCCCCCCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C24H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h24H,2-23H2,1H3

InChIKey

MWWVNZNVTGBKQO-UHFFFAOYSA-N

Compound name

octadecylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 456
Patents: 336.3756 Da
Monoisotopic Mass: 12.7
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]+	337.38288	197.1
[M+Na]+	359.36482	194.9
[M-H]-	335.36832	196.4
[M+NH4]+	354.40942	210.4
[M+K]+	375.33876	189.8
[M+H-H2O]+	319.37286	188.5
[M+HCOO]-	381.37380	212.1
[M+CH3COO]-	395.38945	217.8
[M+Na-2H]-	357.35027	194.0
[M]+	336.37505	198.1
[M]-	336.37615	198.1

Literature stripe

literature stripe

Patent stripe

patents stripe