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]+ 213.01208 138.4
[M+Na]+ 234.99402 148.7
[M-H]- 210.99752 141.3
[M+NH4]+ 230.03862 160.7
[M+K]+ 250.96796 140.3
[M+H-H2O]+ 195.00206 138.6
[M+HCOO]- 257.00300 159.3
[M+CH3COO]- 271.01865 184.4
[M+Na-2H]- 232.97947 145.2
[M]+ 212.00425 161.4
[M]- 212.00535 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.