CID 59323

1-acetonyl-4-phenylisonipecotic acid ethyl ester

Structural Information

Molecular Formula
C17H23NO3
SMILES
CCOC(=O)C1(CCN(CC1)CC(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C17H23NO3/c1-3-21-16(20)17(15-7-5-4-6-8-15)9-11-18(12-10-17)13-14(2)19/h4-8H,3,9-13H2,1-2H3
InChIKey
MSRCHHJMIZQCQD-UHFFFAOYSA-N
Compound name
ethyl 1-(2-oxopropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 170.1
[M+Na]+ 312.15702 180.9
[M+NH4]+ 307.20162 178.2
[M+K]+ 328.13096 172.9
[M-H]- 288.16052 172.3
[M+Na-2H]- 310.14247 176.9
[M]+ 289.16725 172.2
[M]- 289.16835 172.2
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.