CID 118798523

Tert-butyl 3-(2-ethoxy-2-oxoethyl)-3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO5
SMILES
CCOC(=O)CC1(CN(C1)C(=O)OC(C)(C)C)O
InChI
InChI=1S/C12H21NO5/c1-5-17-9(14)6-12(16)7-13(8-12)10(15)18-11(2,3)4/h16H,5-8H2,1-4H3
InChIKey
DZKBYAYNLABWHO-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-ethoxy-2-oxoethyl)-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

259.14197 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 164.1
[M+Na]+ 282.13119 166.6
[M+NH4]+ 277.17579 165.5
[M+K]+ 298.10513 164.8
[M-H]- 258.13469 157.9
[M+Na-2H]- 280.11664 163.2
[M]+ 259.14142 161.2
[M]- 259.14252 161.2
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