CID 129986787

1228258-41-0

Structural Information

Molecular Formula
C6H13BrO3
SMILES
COC(COCCBr)OC
InChI
InChI=1S/C6H13BrO3/c1-8-6(9-2)5-10-4-3-7/h6H,3-5H2,1-2H3
InChIKey
XUZJVFLJJMGQJJ-UHFFFAOYSA-N
Compound name
2-(2-bromoethoxy)-1,1-dimethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.012076 138.4
[M+Na]+ 234.994018 148.7
[M-H]- 210.997524 141.3
[M+NH4]+ 230.038623 160.7
[M+K]+ 250.967958 140.3
[M+H-H2O]+ 195.002060 138.6
[M+HCOO]- 257.003001 159.3
[M+CH3COO]- 271.018651 184.4
[M+Na-2H]- 232.979466 145.2
[M]+ 212.00425142 161.4
[M]- 212.00534858 161.4
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.