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

4688
References

32429
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 163.9
[M+Na]+ 266.18792 176.7
[M+NH4]+ 261.23252 175.6
[M+K]+ 282.16186 165.4
[M-H]- 242.19142 170.8
[M+Na-2H]- 264.17337 174.4
[M]+ 243.19815 167.9
[M]- 243.19925 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe