CID 566001

157371-80-7

Structural Information

Molecular Formula
C8H11BrO3
SMILES
C1C2CC3CC1OC(O2)(O3)CBr
InChI
InChI=1S/C8H11BrO3/c9-4-8-10-5-1-6(11-8)3-7(2-5)12-8/h5-7H,1-4H2
InChIKey
CSXFBEUWUQOEEC-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

233.98917 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99645 148.4
[M+Na]+ 256.97839 149.8
[M+NH4]+ 252.02299 156.7
[M+K]+ 272.95233 148.3
[M-H]- 232.98189 148.5
[M+Na-2H]- 254.96384 142.8
[M]+ 233.98862 147.7
[M]- 233.98972 147.7
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