CID 27650

16036-86-5

Structural Information

Molecular Formula
C18H25NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCC(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C18H25NO3/c1-3-22-17(21)18(16-7-5-4-6-8-16)10-13-19(14-11-18)12-9-15(2)20/h4-8H,3,9-14H2,1-2H3
InChIKey
VLBISCKDYLUIFU-UHFFFAOYSA-N
Compound name
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.190716 174.0
[M+Na]+ 326.172658 177.5
[M-H]- 302.176164 177.9
[M+NH4]+ 321.217263 188.9
[M+K]+ 342.146598 175.1
[M+H-H2O]+ 286.180700 165.6
[M+HCOO]- 348.181641 190.4
[M+CH3COO]- 362.197291 203.8
[M+Na-2H]- 324.158106 175.0
[M]+ 303.18289142 172.9
[M]- 303.18398858 172.9
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.