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

355
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 140.0
[M+Na]+ 187.14572 141.5
[M-H]- 163.14922 144.5
[M+NH4]+ 182.19032 159.7
[M+K]+ 203.11966 138.9
[M+H-H2O]+ 147.15376 133.2
[M+HCOO]- 209.15470 156.5
[M+CH3COO]- 223.17035 176.8
[M+Na-2H]- 185.13117 142.9
[M]+ 164.15595 128.8
[M]- 164.15705 128.8
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