CID 53484485

Tert-butyl 3-amino-[1,3'-biazetidine]-1'-carboxylate

Structural Information

Molecular Formula
C11H21N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2CC(C2)N
InChI
InChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-6-9(7-14)13-4-8(12)5-13/h8-9H,4-7,12H2,1-3H3
InChIKey
JMLRKNIOMIWIKZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-aminoazetidin-1-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.16338 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17066 154.6
[M+Na]+ 250.15260 156.9
[M-H]- 226.15610 157.2
[M+NH4]+ 245.19720 156.6
[M+K]+ 266.12654 162.2
[M+H-H2O]+ 210.16064 137.4
[M+HCOO]- 272.16158 168.0
[M+CH3COO]- 286.17723 203.6
[M+Na-2H]- 248.13805 155.1
[M]+ 227.16283 168.7
[M]- 227.16393 168.7
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