CID 25984

13441-36-6

Structural Information

Molecular Formula
C18H25NO
SMILES
C1CCN(CC1)C2CCC(CC2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H25NO/c20-18(15-7-3-1-4-8-15)16-9-11-17(12-10-16)19-13-5-2-6-14-19/h1,3-4,7-8,16-17H,2,5-6,9-14H2
InChIKey
KTVLKSCPNWLHMV-UHFFFAOYSA-N
Compound name
phenyl-(4-piperidin-1-ylcyclohexyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.200876 167.0
[M+Na]+ 294.182818 167.7
[M-H]- 270.186324 172.7
[M+NH4]+ 289.227423 180.3
[M+K]+ 310.156758 163.6
[M+H-H2O]+ 254.190860 157.0
[M+HCOO]- 316.191801 180.6
[M+CH3COO]- 330.207451 175.3
[M+Na-2H]- 292.168266 167.2
[M]+ 271.19305142 156.9
[M]- 271.19414858 156.9
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.