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

14406
Patents

194.20345 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.21073 150.6
[M+Na]+ 217.19267 150.9
[M-H]- 193.19617 156.8
[M+NH4]+ 212.23727 165.4
[M+K]+ 233.16661 151.9
[M+H-H2O]+ 177.20071 146.7
[M+HCOO]- 239.20165 164.0
[M+CH3COO]- 253.21730 158.8
[M+Na-2H]- 215.17812 151.6
[M]+ 194.20290 138.1
[M]- 194.20400 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe