CID 20511

Cyclohexane, eicosyl-

Structural Information

Molecular Formula

C₂₆H₅₂

SMILES

CCCCCCCCCCCCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h26H,2-25H2,1H3

InChIKey

PSPNTGGVAYLSJO-UHFFFAOYSA-N

Compound name

icosylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 364.4069 Da
Monoisotopic Mass: 13.8
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]+	365.41418	205.7
[M+Na]+	387.39612	202.7
[M-H]-	363.39962	204.6
[M+NH4]+	382.44072	217.9
[M+K]+	403.37006	197.1
[M+H-H2O]+	347.40416	196.8
[M+HCOO]-	409.40510	220.0
[M+CH3COO]-	423.42075	223.7
[M+Na-2H]-	385.38157	201.6
[M]+	364.40635	207.4
[M]-	364.40745	207.4

Literature stripe

literature stripe

Patent stripe

patents stripe