CID 132351226

1-bromo-6-oxaspiro[2.5]octane

Structural Information

Molecular Formula
C7H11BrO
SMILES
C1COCCC12CC2Br
InChI
InChI=1S/C7H11BrO/c8-6-5-7(6)1-3-9-4-2-7/h6H,1-5H2
InChIKey
GHOMJCXNDMWYNF-UHFFFAOYSA-N
Compound name
2-bromo-6-oxaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00661 136.2
[M+Na]+ 212.98855 148.0
[M-H]- 188.99205 145.7
[M+NH4]+ 208.03315 155.6
[M+K]+ 228.96249 140.2
[M+H-H2O]+ 172.99659 136.9
[M+HCOO]- 234.99753 154.1
[M+CH3COO]- 249.01318 181.2
[M+Na-2H]- 210.97400 145.9
[M]+ 189.99878 153.5
[M]- 189.99988 153.5
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.