CID 15714

Dodecylcyclohexane

Structural Information

Molecular Formula

C₁₈H₃₆

SMILES

CCCCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C18H36/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-17H2,1H3

InChIKey

BLRBGKYYWDBAQQ-UHFFFAOYSA-N

Compound name

dodecylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 2120
Patents: 252.28171 Da
Monoisotopic Mass: 9.5
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]+	253.28899	170.6
[M+Na]+	275.27093	171.0
[M-H]-	251.27443	171.3
[M+NH4]+	270.31553	187.5
[M+K]+	291.24487	167.5
[M+H-H2O]+	235.27897	163.3
[M+HCOO]-	297.27991	187.7
[M+CH3COO]-	311.29556	199.9
[M+Na-2H]-	273.25638	170.8
[M]+	252.28116	169.4
[M]-	252.28226	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe