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

9
Patents

207.97351 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.98079 135.5
[M+Na]+ 230.96273 133.1
[M+NH4]+ 226.00733 137.4
[M+K]+ 246.93667 135.1
[M-H]- 206.96623 133.1
[M+Na-2H]- 228.94818 135.8
[M]+ 207.97296 132.3
[M]- 207.97406 132.3
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