CID 13042788

Dtxsid901295451

Structural Information

Molecular Formula
C15H20O
SMILES
CCC(=O)C1CCC(CC1)C2=CC=CC=C2
InChI
InChI=1S/C15H20O/c1-2-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKey
ZODJTCYWBLZPQV-UHFFFAOYSA-N
Compound name
1-(4-phenylcyclohexyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

216.15141 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 150.9
[M+Na]+ 239.14063 154.9
[M-H]- 215.14413 156.5
[M+NH4]+ 234.18523 169.0
[M+K]+ 255.11457 151.9
[M+H-H2O]+ 199.14867 143.8
[M+HCOO]- 261.14961 170.1
[M+CH3COO]- 275.16526 189.2
[M+Na-2H]- 237.12608 153.5
[M]+ 216.15086 146.5
[M]- 216.15196 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

patents stripe