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]+ 222.99645 142.5
[M+Na]+ 244.97839 151.8
[M-H]- 220.98189 151.8
[M+NH4]+ 240.02299 164.1
[M+K]+ 260.95233 146.4
[M+H-H2O]+ 204.98643 144.5
[M+HCOO]- 266.98737 158.3
[M+CH3COO]- 281.00302 157.5
[M+Na-2H]- 242.96384 151.6
[M]+ 221.98862 158.8
[M]- 221.98972 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.