CID 165770826

3-(2-bromo-1-ethoxyethyl)oxolane

Structural Information

Molecular Formula
C8H15BrO2
SMILES
CCOC(CBr)C1CCOC1
InChI
InChI=1S/C8H15BrO2/c1-2-11-8(5-9)7-3-4-10-6-7/h7-8H,2-6H2,1H3
InChIKey
SDCCTCWTBNDQIT-UHFFFAOYSA-N
Compound name
3-(2-bromo-1-ethoxyethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02554 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.032816 147.9
[M+Na]+ 245.014758 156.8
[M-H]- 221.018264 153.9
[M+NH4]+ 240.059363 170.0
[M+K]+ 260.988698 148.8
[M+H-H2O]+ 205.022800 148.2
[M+HCOO]- 267.023741 166.6
[M+CH3COO]- 281.039391 184.4
[M+Na-2H]- 243.000206 152.7
[M]+ 222.02499142 166.4
[M]- 222.02608858 166.4
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.