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]+ 272.20088 167.0
[M+Na]+ 294.18282 167.7
[M-H]- 270.18632 172.7
[M+NH4]+ 289.22742 180.3
[M+K]+ 310.15676 163.6
[M+H-H2O]+ 254.19086 157.0
[M+HCOO]- 316.19180 180.6
[M+CH3COO]- 330.20745 175.3
[M+Na-2H]- 292.16827 167.2
[M]+ 271.19305 156.9
[M]- 271.19415 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.