CID 165948477

Tert-butyl 3-{3-aminobicyclo[1.1.1]pentan-1-yl}pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C23CC(C2)(C3)N
InChI
InChI=1S/C14H24N2O2/c1-12(2,3)18-11(17)16-5-4-10(6-16)13-7-14(15,8-13)9-13/h10H,4-9,15H2,1-3H3
InChIKey
UFDZONGRQBOLJV-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 179.6
[M+Na]+ 275.17300 180.4
[M-H]- 251.17650 182.9
[M+NH4]+ 270.21760 183.1
[M+K]+ 291.14694 185.9
[M+H-H2O]+ 235.18104 165.6
[M+HCOO]- 297.18198 188.2
[M+CH3COO]- 311.19763 219.7
[M+Na-2H]- 273.15845 181.0
[M]+ 252.18323 202.1
[M]- 252.18433 202.1
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.