CID 155978275

1-bromo-5,8-dioxaspiro[3.4]oct-1-ene

Structural Information

Molecular Formula
C6H7BrO2
SMILES
C1COC2(O1)CC=C2Br
InChI
InChI=1S/C6H7BrO2/c7-5-1-2-6(5)8-3-4-9-6/h1H,2-4H2
InChIKey
DJBLLQFDZQDVPR-UHFFFAOYSA-N
Compound name
3-bromo-5,8-dioxaspiro[3.4]oct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.96294 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.970216 117.5
[M+Na]+ 212.952158 128.2
[M-H]- 188.955664 127.3
[M+NH4]+ 207.996763 136.1
[M+K]+ 228.926098 124.4
[M+H-H2O]+ 172.960200 116.1
[M+HCOO]- 234.961141 137.3
[M+CH3COO]- 248.976791 179.4
[M+Na-2H]- 210.937606 129.0
[M]+ 189.96239142 144.2
[M]- 189.96348858 144.2
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.