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]+ 322.064836 161.9
[M+Na]+ 344.046778 168.9
[M-H]- 320.050284 166.0
[M+NH4]+ 339.091383 172.7
[M+K]+ 360.020718 163.3
[M+H-H2O]+ 304.054820 156.3
[M+HCOO]- 366.055761 175.5
[M+CH3COO]- 380.071411 205.2
[M+Na-2H]- 342.032226 163.7
[M]+ 321.05701142 190.4
[M]- 321.05810858 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.