CID 138159

Cyclohexylidenecyclohexane

Structural Information

Molecular Formula
C12H20
SMILES
C1CCC(=C2CCCCC2)CC1
InChI
InChI=1S/C12H20/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H2
InChIKey
FJHVMZDLYBHASM-UHFFFAOYSA-N
Compound name
cyclohexylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

114
Patents

164.1565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.16378 142.0
[M+Na]+ 187.14572 153.0
[M+NH4]+ 182.19032 152.5
[M+K]+ 203.11966 144.6
[M-H]- 163.14922 146.9
[M+Na-2H]- 185.13117 148.6
[M]+ 164.15595 144.8
[M]- 164.15705 144.8
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