CID 165463972

2770359-14-1

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]+ 281.222376 189.1
[M+Na]+ 303.204318 189.1
[M-H]- 279.207824 191.4
[M+NH4]+ 298.248923 190.2
[M+K]+ 319.178258 194.9
[M+H-H2O]+ 263.212360 173.3
[M+HCOO]- 325.213301 195.5
[M+CH3COO]- 339.228951 224.4
[M+Na-2H]- 301.189766 190.5
[M]+ 280.21455142 210.5
[M]- 280.21564858 210.5
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.