CID 264604

2-(bromomethyl)-2-methyl-1,3-dioxolane

Structural Information

Molecular Formula
C5H9BrO2
SMILES
CC1(OCCO1)CBr
InChI
InChI=1S/C5H9BrO2/c1-5(4-6)7-2-3-8-5/h2-4H2,1H3
InChIKey
LADSNESNVGBQKO-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

179.97859 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.985866 130.3
[M+Na]+ 202.967808 141.5
[M-H]- 178.971314 137.7
[M+NH4]+ 198.012413 154.8
[M+K]+ 218.941748 135.0
[M+H-H2O]+ 162.975850 132.5
[M+HCOO]- 224.976791 150.2
[M+CH3COO]- 238.992441 174.9
[M+Na-2H]- 200.953256 140.3
[M]+ 179.97804142 149.6
[M]- 179.97913858 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe