CID 23250

Hexadecylcyclohexane

Structural Information

Molecular Formula

C₂₂H₄₄

SMILES

CCCCCCCCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C22H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h22H,2-21H2,1H3

InChIKey

NRHBFNBZAZZTAU-UHFFFAOYSA-N

Compound name

hexadecylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 607
Patents: 308.3443 Da
Monoisotopic Mass: 11.6
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]+	309.35158	188.3
[M+Na]+	331.33352	187.0
[M-H]-	307.33702	188.1
[M+NH4]+	326.37812	202.9
[M+K]+	347.30746	182.5
[M+H-H2O]+	291.34156	180.2
[M+HCOO]-	353.34250	204.0
[M+CH3COO]-	367.35815	211.8
[M+Na-2H]-	329.31897	186.3
[M]+	308.34375	188.6
[M]-	308.34485	188.6

Literature stripe

literature stripe

Patent stripe

patents stripe