CID 137698676

Tert-butyl 3-(2-aminopropyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Structural Information

Molecular Formula
C15H28N2O2
SMILES
CC(CC1CC2CCC(C1)N2C(=O)OC(C)(C)C)N
InChI
InChI=1S/C15H28N2O2/c1-10(16)7-11-8-12-5-6-13(9-11)17(12)14(18)19-15(2,3)4/h10-13H,5-9,16H2,1-4H3
InChIKey
KFLMOVLYLSUONJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-aminopropyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.2151 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.222376 169.5
[M+Na]+ 291.204318 173.1
[M-H]- 267.207824 169.5
[M+NH4]+ 286.248923 187.9
[M+K]+ 307.178258 171.5
[M+H-H2O]+ 251.212360 164.0
[M+HCOO]- 313.213301 182.7
[M+CH3COO]- 327.228951 202.0
[M+Na-2H]- 289.189766 168.9
[M]+ 268.21455142 167.0
[M]- 268.21564858 167.0
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.