CID 136144

Cycloundecane

Structural Information

Molecular Formula

C₁₁H₂₂

SMILES

C1CCCCCCCCCC1

InChI

InChI=1S/C11H22/c1-2-4-6-8-10-11-9-7-5-3-1/h1-11H2

InChIKey

KYTNZWVKKKJXFS-UHFFFAOYSA-N

Compound name

cycloundecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6164
Patents: 154.17215 Da
Monoisotopic Mass: 6.2
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]+	155.17943	136.3
[M+Na]+	177.16137	137.7
[M-H]-	153.16487	135.6
[M+NH4]+	172.20597	153.9
[M+K]+	193.13531	137.6
[M+H-H2O]+	137.16941	133.4
[M+HCOO]-	199.17035	153.5
[M+CH3COO]-	213.18600	171.0
[M+Na-2H]-	175.14682	139.7
[M]+	154.17160	125.1
[M]-	154.17270	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe