CID 86002

2-hexylidenecyclohexan-1-one

Structural Information

Molecular Formula
C12H20O
SMILES
CCCCCC=C1CCCCC1=O
InChI
InChI=1S/C12H20O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h8H,2-7,9-10H2,1H3
InChIKey
VDZBUTVYLIWRCT-UHFFFAOYSA-N
Compound name
2-hexylidenecyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

56
Patents

180.15141 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 143.3
[M+Na]+ 203.140628 147.9
[M-H]- 179.144134 145.7
[M+NH4]+ 198.185233 163.3
[M+K]+ 219.114568 145.3
[M+H-H2O]+ 163.148670 137.6
[M+HCOO]- 225.149611 163.1
[M+CH3COO]- 239.165261 182.3
[M+Na-2H]- 201.126076 146.3
[M]+ 180.15086142 140.3
[M]- 180.15195858 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe