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

43
Patents

220.00989 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.017166 144.2
[M+Na]+ 242.999108 153.2
[M-H]- 219.002614 152.8
[M+NH4]+ 238.043713 167.2
[M+K]+ 258.973048 146.1
[M+H-H2O]+ 203.007150 145.8
[M+HCOO]- 265.008091 160.5
[M+CH3COO]- 279.023741 158.9
[M+Na-2H]- 240.984556 151.9
[M]+ 220.00934142 158.9
[M]- 220.01043858 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