CID 139595025

Dtxsid601297365

Structural Information

Molecular Formula
C15H20O
SMILES
CCC(=O)C1CCCC(C1)C2=CC=CC=C2
InChI
InChI=1S/C15H20O/c1-2-15(16)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3
InChIKey
GCSCBZYRSNWWMW-UHFFFAOYSA-N
Compound name
1-(3-phenylcyclohexyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15141 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.158686 150.9
[M+Na]+ 239.140628 154.9
[M-H]- 215.144134 156.5
[M+NH4]+ 234.185233 169.0
[M+K]+ 255.114568 151.9
[M+H-H2O]+ 199.148670 143.8
[M+HCOO]- 261.149611 170.1
[M+CH3COO]- 275.165261 189.2
[M+Na-2H]- 237.126076 153.5
[M]+ 216.15086142 146.5
[M]- 216.15195858 146.5
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

No patent data available for this compound.