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 162.2
[M+Na]+ 282.13119 166.4
[M-H]- 258.13469 162.7
[M+NH4]+ 277.17579 172.6
[M+K]+ 298.10513 169.8
[M+H-H2O]+ 242.13923 152.4
[M+HCOO]- 304.14017 177.3
[M+CH3COO]- 318.15582 194.7
[M+Na-2H]- 280.11664 164.2
[M]+ 259.14142 174.2
[M]- 259.14252 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