CID 146155339

Methyl 3-(bromomethyl)oxetane-3-carboxylate

Structural Information

Molecular Formula
C6H9BrO3
SMILES
COC(=O)C1(COC1)CBr
InChI
InChI=1S/C6H9BrO3/c1-9-5(8)6(2-7)3-10-4-6/h2-4H2,1H3
InChIKey
QNNBBORLQMUICV-UHFFFAOYSA-N
Compound name
methyl 3-(bromomethyl)oxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.97351 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.980786 125.2
[M+Na]+ 230.962728 134.7
[M-H]- 206.966234 132.1
[M+NH4]+ 226.007333 142.1
[M+K]+ 246.936668 130.4
[M+H-H2O]+ 190.970770 122.6
[M+HCOO]- 252.971711 144.3
[M+CH3COO]- 266.987361 183.9
[M+Na-2H]- 228.948176 134.7
[M]+ 207.97296142 153.5
[M]- 207.97405858 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