CID 71756698

6-bromo-1,4,8-trioxaspiro[4.5]decane

Structural Information

Molecular Formula
C7H11BrO3
SMILES
C1COCC(C12OCCO2)Br
InChI
InChI=1S/C7H11BrO3/c8-6-5-9-2-1-7(6)10-3-4-11-7/h6H,1-5H2
InChIKey
YVCXYXUDSUQYNF-UHFFFAOYSA-N
Compound name
6-bromo-1,4,8-trioxaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.98917 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.996446 142.5
[M+Na]+ 244.978388 151.8
[M-H]- 220.981894 151.8
[M+NH4]+ 240.022993 164.1
[M+K]+ 260.952328 146.4
[M+H-H2O]+ 204.986430 144.5
[M+HCOO]- 266.987371 158.3
[M+CH3COO]- 281.003021 157.5
[M+Na-2H]- 242.963836 151.6
[M]+ 221.98862142 158.8
[M]- 221.98971858 158.8
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.