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 141.0
[M+Na]+ 256.97839 148.0
[M-H]- 232.98189 141.8
[M+NH4]+ 252.02299 165.0
[M+K]+ 272.95233 143.1
[M+H-H2O]+ 216.98643 141.3
[M+HCOO]- 278.98737 146.3
[M+CH3COO]- 293.00302 153.2
[M+Na-2H]- 254.96384 156.5
[M]+ 233.98862 162.5
[M]- 233.98972 162.5
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