CID 121552730

2249724-40-9

Structural Information

Molecular Formula
C5H9BrO2
SMILES
CO[C@@H]1COC[C@H]1Br
InChI
InChI=1S/C5H9BrO2/c1-7-5-3-8-2-4(5)6/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKey
QQHVSLOXBBZGPI-RFZPGFLSSA-N
Compound name
(3R,4R)-3-bromo-4-methoxyoxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.97859 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.985866 131.9
[M+Na]+ 202.967808 143.2
[M-H]- 178.971314 138.7
[M+NH4]+ 198.012413 156.0
[M+K]+ 218.941748 135.5
[M+H-H2O]+ 162.975850 133.1
[M+HCOO]- 224.976791 152.6
[M+CH3COO]- 238.992441 176.2
[M+Na-2H]- 200.953256 139.1
[M]+ 179.97804142 150.5
[M]- 179.97913858 150.5
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

No patent data available for this compound.