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

377
Patents

305.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 172.0
[M+Na]+ 328.151938 175.9
[M-H]- 304.155444 175.1
[M+NH4]+ 323.196543 184.6
[M+K]+ 344.125878 173.8
[M+H-H2O]+ 288.159980 164.4
[M+HCOO]- 350.160921 185.9
[M+CH3COO]- 364.176571 201.3
[M+Na-2H]- 326.137386 172.5
[M]+ 305.16217142 169.7
[M]- 305.16326858 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