CID 132342020

Tert-butyl 3-(2-amino-3-ethoxy-3-oxopropyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CCOC(=O)C(CC1CN(C1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H24N2O4/c1-5-18-11(16)10(14)6-9-7-15(8-9)12(17)19-13(2,3)4/h9-10H,5-8,14H2,1-4H3
InChIKey
RDTOLONKRFHGDV-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-amino-3-ethoxy-3-oxopropyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 170.8
[M+Na]+ 295.16282 172.9
[M-H]- 271.16632 171.6
[M+NH4]+ 290.20742 178.6
[M+K]+ 311.13676 176.5
[M+H-H2O]+ 255.17086 158.2
[M+HCOO]- 317.17180 186.1
[M+CH3COO]- 331.18745 203.6
[M+Na-2H]- 293.14827 169.0
[M]+ 272.17305 180.6
[M]- 272.17415 180.6
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.