CID 29777

Heptadecylcyclohexane

Structural Information

Molecular Formula

C₂₃H₄₆

SMILES

CCCCCCCCCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C23H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h23H,2-22H2,1H3

InChIKey

VLHZQNGNJQYAIZ-UHFFFAOYSA-N

Compound name

heptadecylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 322.35995 Da
Monoisotopic Mass: 12.2
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]+	323.367226	192.7
[M+Na]+	345.349168	190.9
[M-H]-	321.352674	192.3
[M+NH4]+	340.393773	206.6
[M+K]+	361.323108	186.2
[M+H-H2O]+	305.357210	184.4
[M+HCOO]-	367.358151	208.1
[M+CH3COO]-	381.373801	214.8
[M+Na-2H]-	343.334616	190.2
[M]+	322.35940142	193.3
[M]-	322.36049858	193.3

Literature stripe

literature stripe

Patent stripe

patents stripe