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]+ 253.191056 179.6
[M+Na]+ 275.172998 180.4
[M-H]- 251.176504 182.9
[M+NH4]+ 270.217603 183.1
[M+K]+ 291.146938 185.9
[M+H-H2O]+ 235.181040 165.6
[M+HCOO]- 297.181981 188.2
[M+CH3COO]- 311.197631 219.7
[M+Na-2H]- 273.158446 181.0
[M]+ 252.18323142 202.1
[M]- 252.18432858 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.