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]+ 296.14118 169.4
[M+Na]+ 318.12312 175.3
[M-H]- 294.12662 173.9
[M+NH4]+ 313.16772 184.3
[M+K]+ 334.09706 171.1
[M+H-H2O]+ 278.13116 162.2
[M+HCOO]- 340.13210 180.9
[M+CH3COO]- 354.14775 200.1
[M+Na-2H]- 316.10857 171.2
[M]+ 295.13335 169.1
[M]- 295.13445 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