CID 32414

Ethyl 4-phenylpiperidine-4-carboxylate

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCOC(=O)C1(CCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
InChIKey
QKHMFBKXTNQCTM-UHFFFAOYSA-N
Compound name
ethyl 4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

103
References

770
Patents

233.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.8
[M+Na]+ 256.13081 159.8
[M-H]- 232.13431 158.6
[M+NH4]+ 251.17541 172.8
[M+K]+ 272.10475 156.8
[M+H-H2O]+ 216.13885 148.1
[M+HCOO]- 278.13979 172.7
[M+CH3COO]- 292.15544 186.0
[M+Na-2H]- 254.11626 160.2
[M]+ 233.14104 150.9
[M]- 233.14214 150.9
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.