CID 202391

1-methyl-4-phenylpiperidine hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CN1CCC(CC1)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKey
ZETXHVRPKUXQIT-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1170
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 139.5
[M+Na]+ 198.125318 144.9
[M-H]- 174.128824 144.0
[M+NH4]+ 193.169923 158.1
[M+K]+ 214.099258 142.0
[M+H-H2O]+ 158.133360 131.9
[M+HCOO]- 220.134301 159.0
[M+CH3COO]- 234.149951 180.8
[M+Na-2H]- 196.110766 145.0
[M]+ 175.13555142 134.4
[M]- 175.13664858 134.4
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