CID 135392348

2227206-31-5

Structural Information

Molecular Formula
C12H20BrNO4
SMILES
CCOC(=O)C(C1CN(C1)C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C12H20BrNO4/c1-5-17-10(15)9(13)8-6-14(7-8)11(16)18-12(2,3)4/h8-9H,5-7H2,1-4H3
InChIKey
DKEWRGSGGCJIJI-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-bromo-2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.05756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.06484 161.9
[M+Na]+ 344.04678 168.9
[M-H]- 320.05028 166.0
[M+NH4]+ 339.09138 172.7
[M+K]+ 360.02072 163.3
[M+H-H2O]+ 304.05482 156.3
[M+HCOO]- 366.05576 175.5
[M+CH3COO]- 380.07141 205.2
[M+Na-2H]- 342.03223 163.7
[M]+ 321.05701 190.4
[M]- 321.05811 190.4
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.