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

634
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

literature stripe

Patent stripe

patents stripe