CID 166000927

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

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C23CC(C2)(C3)N
InChI
InChI=1S/C13H22N2O2/c1-11(2,3)17-10(16)15-4-9(5-15)12-6-13(14,7-12)8-12/h9H,4-8,14H2,1-3H3
InChIKey
HDKHLXSGQYBNOE-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.16812 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17540 184.8
[M+Na]+ 261.15734 185.2
[M-H]- 237.16084 187.9
[M+NH4]+ 256.20194 182.5
[M+K]+ 277.13128 191.9
[M+H-H2O]+ 221.16538 169.3
[M+HCOO]- 283.16632 190.9
[M+CH3COO]- 297.18197 233.1
[M+Na-2H]- 259.14279 184.9
[M]+ 238.16757 209.1
[M]- 238.16867 209.1
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

patents stripe