CID 27281794

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

Structural Information

Molecular Formula
C16H22ClNO2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H22ClNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKey
ODNDRHCDSBWGGD-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

295.1339 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.141176 169.4
[M+Na]+ 318.123118 175.3
[M-H]- 294.126624 173.9
[M+NH4]+ 313.167723 184.3
[M+K]+ 334.097058 171.1
[M+H-H2O]+ 278.131160 162.2
[M+HCOO]- 340.132101 180.9
[M+CH3COO]- 354.147751 200.1
[M+Na-2H]- 316.108566 171.2
[M]+ 295.13335142 169.1
[M]- 295.13444858 169.1
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