CID 136145

Cyclotridecane

Structural Information

Molecular Formula

C₁₃H₂₆

SMILES

C1CCCCCCCCCCCC1

InChI

InChI=1S/C13H26/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-13H2

InChIKey

UEVXKGPJXXDGCX-UHFFFAOYSA-N

Compound name

cyclotridecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2350
Patents: 182.20345 Da
Monoisotopic Mass: 7.2
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]+	183.210726	145.0
[M+Na]+	205.192668	145.0
[M-H]-	181.196174	144.4
[M+NH4]+	200.237273	161.1
[M+K]+	221.166608	144.6
[M+H-H2O]+	165.200710	141.8
[M+HCOO]-	227.201651	160.6
[M+CH3COO]-	241.217301	174.9
[M+Na-2H]-	203.178116	147.0
[M]+	182.20290142	132.0
[M]-	182.20399858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe