CID 1491502

125541-22-2

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3
InChIKey
HTIWISWAPVQGMI-UHFFFAOYSA-N
Compound name
tert-butyl 4-anilinopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

186
Patents

276.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.3
[M+Na]+ 299.17300 177.4
[M+NH4]+ 294.21760 174.4
[M+K]+ 315.14694 171.7
[M-H]- 275.17650 170.1
[M+Na-2H]- 297.15845 173.4
[M]+ 276.18323 169.3
[M]- 276.18433 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe