CID 53939407

5-methyl-2-phenylpiperidine

Structural Information

Molecular Formula
C12H17N
SMILES
CC1CCC(NC1)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKey
IWCFBBFSWZZNCW-UHFFFAOYSA-N
Compound name
5-methyl-2-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 140.1
[M+Na]+ 198.12532 145.1
[M-H]- 174.12882 143.2
[M+NH4]+ 193.16992 158.0
[M+K]+ 214.09926 141.2
[M+H-H2O]+ 158.13336 132.8
[M+HCOO]- 220.13430 158.1
[M+CH3COO]- 234.14995 151.6
[M+Na-2H]- 196.11077 145.2
[M]+ 175.13555 133.2
[M]- 175.13665 133.2
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