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]+ 222.996446 139.8
[M+Na]+ 244.978388 148.7
[M-H]- 220.981894 146.4
[M+NH4]+ 240.022993 160.9
[M+K]+ 260.952328 143.4
[M+H-H2O]+ 204.986430 141.2
[M+HCOO]- 266.987371 153.2
[M+CH3COO]- 281.003021 154.2
[M+Na-2H]- 242.963836 152.2
[M]+ 221.98862142 157.8
[M]- 221.98971858 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.