CID 101175

2-(1-cyclohexenyl)cyclohexanone

Structural Information

Molecular Formula
C12H18O
SMILES
C1CCC(=CC1)C2CCCCC2=O
InChI
InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2
InChIKey
GVNVAWHJIKLAGL-UHFFFAOYSA-N
Compound name
2-(cyclohexen-1-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56376
Patents

178.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 140.7
[M+Na]+ 201.12499 144.1
[M-H]- 177.12849 146.0
[M+NH4]+ 196.16959 160.1
[M+K]+ 217.09893 141.8
[M+H-H2O]+ 161.13303 134.0
[M+HCOO]- 223.13397 158.9
[M+CH3COO]- 237.14962 180.1
[M+Na-2H]- 199.11044 144.0
[M]+ 178.13522 132.9
[M]- 178.13632 132.9
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