CID 22228422

1395601-21-4

Structural Information

Molecular Formula
C17H22ClNO4
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C17H22ClNO4/c1-17(2,3)23-16(22)19-9-8-13(15(20)21)14(10-19)11-4-6-12(18)7-5-11/h4-7,13-14H,8-10H2,1-3H3,(H,20,21)
InChIKey
PFUUNKWBKRROEO-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

339.12375 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13103 176.9
[M+Na]+ 362.11297 187.8
[M+NH4]+ 357.15757 182.7
[M+K]+ 378.08691 183.3
[M-H]- 338.11647 177.7
[M+Na-2H]- 360.09842 181.0
[M]+ 339.12320 178.8
[M]- 339.12430 178.8
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