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

10
Patents

238.16812 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.175396 184.8
[M+Na]+ 261.157338 185.2
[M-H]- 237.160844 187.9
[M+NH4]+ 256.201943 182.5
[M+K]+ 277.131278 191.9
[M+H-H2O]+ 221.165380 169.3
[M+HCOO]- 283.166321 190.9
[M+CH3COO]- 297.181971 233.1
[M+Na-2H]- 259.142786 184.9
[M]+ 238.16757142 209.1
[M]- 238.16866858 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