CID 165463972

Tert-butyl 4-({3-aminobicyclo[1.1.1]pentan-1-yl}methyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C16H28N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC23CC(C2)(C3)N
InChI
InChI=1S/C16H28N2O2/c1-14(2,3)20-13(19)18-6-4-12(5-7-18)8-15-9-16(17,10-15)11-15/h12H,4-11,17H2,1-3H3
InChIKey
YGSBTENIMUPUGC-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(3-amino-1-bicyclo[1.1.1]pentanyl)methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.2151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22238 183.1
[M+Na]+ 303.20432 178.1
[M+NH4]+ 298.24892 181.6
[M+K]+ 319.17826 175.6
[M-H]- 279.20782 176.1
[M+Na-2H]- 301.18977 177.6
[M]+ 280.21455 177.7
[M]- 280.21565 177.7
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

No patent data available for this compound.