CID 22492859

4-(4-carboxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

406
Patents

305.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 172.0
[M+Na]+ 328.15194 175.9
[M-H]- 304.15544 175.1
[M+NH4]+ 323.19654 184.6
[M+K]+ 344.12588 173.8
[M+H-H2O]+ 288.15998 164.4
[M+HCOO]- 350.16092 185.9
[M+CH3COO]- 364.17657 201.3
[M+Na-2H]- 326.13739 172.5
[M]+ 305.16217 169.7
[M]- 305.16327 169.7
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