CID 167733255

1-(bromomethyl)-3,7,9-trioxabicyclo[3.3.1]nonane

Structural Information

Molecular Formula
C7H11BrO3
SMILES
C1C2COCC(O2)(CO1)CBr
InChI
InChI=1S/C7H11BrO3/c8-3-7-4-9-1-6(11-7)2-10-5-7/h6H,1-5H2
InChIKey
MTORTDILTUXBMS-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,7,9-trioxabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.98917 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99645 139.8
[M+Na]+ 244.97839 148.7
[M-H]- 220.98189 146.4
[M+NH4]+ 240.02299 160.9
[M+K]+ 260.95233 143.4
[M+H-H2O]+ 204.98643 141.2
[M+HCOO]- 266.98737 153.2
[M+CH3COO]- 281.00302 154.2
[M+Na-2H]- 242.96384 152.2
[M]+ 221.98862 157.8
[M]- 221.98972 157.8
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.