CID 11805619

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

Structural Information

Molecular Formula
C6H11BrO2
SMILES
CC1(OCCO1)CCBr
InChI
InChI=1S/C6H11BrO2/c1-6(2-3-7)8-4-5-9-6/h2-5H2,1H3
InChIKey
SZLPRRVCSGZARF-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

193.99425 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 135.0
[M+Na]+ 216.98347 145.8
[M-H]- 192.98697 142.2
[M+NH4]+ 212.02807 159.0
[M+K]+ 232.95741 139.1
[M+H-H2O]+ 176.99151 137.0
[M+HCOO]- 238.99245 154.6
[M+CH3COO]- 253.00810 177.7
[M+Na-2H]- 214.96892 144.4
[M]+ 193.99370 154.6
[M]- 193.99480 154.6
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