CID 736917

1-[(tert-butoxy)carbonyl]-4-phenylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C17H23NO4/c1-16(2,3)22-15(21)18-11-9-17(10-12-18,14(19)20)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,20)
InChIKey
ZDWOYDIXKYSZPX-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
Patents

305.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 172.4
[M+Na]+ 328.15194 176.4
[M-H]- 304.15544 175.5
[M+NH4]+ 323.19654 186.8
[M+K]+ 344.12588 174.7
[M+H-H2O]+ 288.15998 165.4
[M+HCOO]- 350.16092 186.3
[M+CH3COO]- 364.17657 199.6
[M+Na-2H]- 326.13739 174.8
[M]+ 305.16217 170.1
[M]- 305.16327 170.1
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