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]+ 269.22238 169.5
[M+Na]+ 291.20432 173.1
[M-H]- 267.20782 169.5
[M+NH4]+ 286.24892 187.9
[M+K]+ 307.17826 171.5
[M+H-H2O]+ 251.21236 164.0
[M+HCOO]- 313.21330 182.7
[M+CH3COO]- 327.22895 202.0
[M+Na-2H]- 289.18977 168.9
[M]+ 268.21455 167.0
[M]- 268.21565 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.