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]+ 260.149246 162.2
[M+Na]+ 282.131188 166.4
[M-H]- 258.134694 162.7
[M+NH4]+ 277.175793 172.6
[M+K]+ 298.105128 169.8
[M+H-H2O]+ 242.139230 152.4
[M+HCOO]- 304.140171 177.3
[M+CH3COO]- 318.155821 194.7
[M+Na-2H]- 280.116636 164.2
[M]+ 259.14142142 174.2
[M]- 259.14251858 174.2
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