CID 89208

3-methyl-3-phenylpiperidine

Structural Information

Molecular Formula
C12H17N
SMILES
CC1(CCCNC1)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-12(8-5-9-13-10-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChIKey
JMPNCLOLPRVYKK-UHFFFAOYSA-N
Compound name
3-methyl-3-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 140.9
[M+Na]+ 198.12532 145.8
[M-H]- 174.12882 144.0
[M+NH4]+ 193.16992 160.5
[M+K]+ 214.09926 142.3
[M+H-H2O]+ 158.13336 133.8
[M+HCOO]- 220.13430 158.9
[M+CH3COO]- 234.14995 152.4
[M+Na-2H]- 196.11077 147.5
[M]+ 175.13555 133.8
[M]- 175.13665 133.8
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