CID 6468

Phencyclidine

Structural Information

Molecular Formula
C17H25N
SMILES
C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
InChIKey
JTJMJGYZQZDUJJ-UHFFFAOYSA-N
Compound name
1-(1-phenylcyclohexyl)piperidine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4628
References

43939
Patents

243.1987 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 161.5
[M+Na]+ 266.18792 162.8
[M-H]- 242.19142 167.3
[M+NH4]+ 261.23252 178.0
[M+K]+ 282.16186 158.8
[M+H-H2O]+ 226.19596 151.6
[M+HCOO]- 288.19690 176.2
[M+CH3COO]- 302.21255 170.5
[M+Na-2H]- 264.17337 164.8
[M]+ 243.19815 150.8
[M]- 243.19925 150.8
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.