CID 66660397

Methyl 5-phenylpiperidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC(=O)C1CC(CNC1)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c1-16-13(15)12-7-11(8-14-9-12)10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3
InChIKey
ZRRCBQONYBQKFI-UHFFFAOYSA-N
Compound name
methyl 5-phenylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

219.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.2
[M+Na]+ 242.11515 163.0
[M+NH4]+ 237.15975 159.1
[M+K]+ 258.08909 156.5
[M-H]- 218.11865 154.0
[M+Na-2H]- 240.10060 157.8
[M]+ 219.12538 153.5
[M]- 219.12648 153.5
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

patents stripe