CID 67988045

Ethyl 3-bromooxetane-3-carboxylate

Structural Information

Molecular Formula
C6H9BrO3
SMILES
CCOC(=O)C1(COC1)Br
InChI
InChI=1S/C6H9BrO3/c1-2-10-5(8)6(7)3-9-4-6/h2-4H2,1H3
InChIKey
ZLRPLERELYDQMU-UHFFFAOYSA-N
Compound name
ethyl 3-bromooxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

207.97351 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.98079 125.2
[M+Na]+ 230.96273 134.7
[M-H]- 206.96623 132.1
[M+NH4]+ 226.00733 142.1
[M+K]+ 246.93667 130.4
[M+H-H2O]+ 190.97077 122.6
[M+HCOO]- 252.97171 144.3
[M+CH3COO]- 266.98736 183.9
[M+Na-2H]- 228.94818 134.7
[M]+ 207.97296 153.5
[M]- 207.97406 153.5
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