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

360
Patents

305.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 172.4
[M+Na]+ 328.151938 176.4
[M-H]- 304.155444 175.5
[M+NH4]+ 323.196543 186.8
[M+K]+ 344.125878 174.7
[M+H-H2O]+ 288.159980 165.4
[M+HCOO]- 350.160921 186.3
[M+CH3COO]- 364.176571 199.6
[M+Na-2H]- 326.137386 174.8
[M]+ 305.16217142 170.1
[M]- 305.16326858 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