CID 13765129

8-bromo-1,4-dioxaspiro[4.5]decane

Structural Information

Molecular Formula
C8H13BrO2
SMILES
C1CC2(CCC1Br)OCCO2
InChI
InChI=1S/C8H13BrO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7H,1-6H2
InChIKey
JCWBPQVTECHCIP-UHFFFAOYSA-N
Compound name
8-bromo-1,4-dioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

220.00989 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01717 144.2
[M+Na]+ 242.99911 153.2
[M-H]- 219.00261 152.8
[M+NH4]+ 238.04371 167.2
[M+K]+ 258.97305 146.1
[M+H-H2O]+ 203.00715 145.8
[M+HCOO]- 265.00809 160.5
[M+CH3COO]- 279.02374 158.9
[M+Na-2H]- 240.98456 151.9
[M]+ 220.00934 158.9
[M]- 220.01044 158.9
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

patents stripe