CID 141010

Bicycloheptane

Structural Information

Molecular Formula

C₁₄H₂₆

SMILES

C1CCCC(CC1)C2CCCCCC2

InChI

InChI=1S/C14H26/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h13-14H,1-12H2

InChIKey

ARUKYTASOALXFG-UHFFFAOYSA-N

Compound name

cycloheptylcycloheptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 14266
Patents: 194.20345 Da
Monoisotopic Mass: 6.8
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]+	195.21073	158.6
[M+Na]+	217.19267	163.6
[M+NH4]+	212.23727	165.2
[M+K]+	233.16661	159.8
[M-H]-	193.19617	161.5
[M+Na-2H]-	215.17812	162.6
[M]+	194.20290	160.1
[M]-	194.20400	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe