CID 20284

Pentylcyclohexane

Structural Information

Molecular Formula

C₁₁H₂₂

SMILES

CCCCCC1CCCCC1

InChI

InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3

InChIKey

HLTMUYBTNSVOFY-UHFFFAOYSA-N

Compound name

pentylcyclohexane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 3540
Patents: 154.17215 Da
Monoisotopic Mass: 5.7
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]+	155.17943	138.9
[M+Na]+	177.16137	142.2
[M-H]-	153.16487	141.0
[M+NH4]+	172.20597	159.8
[M+K]+	193.13531	140.7
[M+H-H2O]+	137.16941	133.1
[M+HCOO]-	199.17035	158.4
[M+CH3COO]-	213.18600	178.7
[M+Na-2H]-	175.14682	143.0
[M]+	154.17160	135.1
[M]-	154.17270	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe