CID 160893

Phencyclidine methiodide

Structural Information

Molecular Formula
C18H28N
SMILES
C[N+]1(CCCCC1)C2(CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H28N/c1-19(15-9-4-10-16-19)18(13-7-3-8-14-18)17-11-5-2-6-12-17/h2,5-6,11-12H,3-4,7-10,13-16H2,1H3/q+1
InChIKey
QGYQRMGRVDVCFM-UHFFFAOYSA-N
Compound name
1-methyl-1-(1-phenylcyclohexyl)piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

258.22217 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.22945 167.1
[M+Na]+ 281.21139 168.7
[M-H]- 257.21489 173.4
[M+NH4]+ 276.25599 184.9
[M+K]+ 297.18533 159.3
[M+H-H2O]+ 241.21943 159.9
[M+HCOO]- 303.22037 181.0
[M+CH3COO]- 317.23602 187.7
[M+Na-2H]- 279.19684 172.6
[M]+ 258.22162 155.6
[M]- 258.22272 155.6
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.