CID 169759

4-(bromomethyl)-2,2-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C6H11BrO2
SMILES
CC1(OCC(O1)CBr)C
InChI
InChI=1S/C6H11BrO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3
InChIKey
ZOPZKFNSQYCIPP-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2,2-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
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 134.0
[M+Na]+ 216.98347 145.7
[M-H]- 192.98697 141.6
[M+NH4]+ 212.02807 158.3
[M+K]+ 232.95741 138.9
[M+H-H2O]+ 176.99151 136.3
[M+HCOO]- 238.99245 153.6
[M+CH3COO]- 253.00810 178.8
[M+Na-2H]- 214.96892 142.9
[M]+ 193.99370 153.9
[M]- 193.99480 153.9
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