CID 13935286

3-bromopropyl methyl carbonate

Structural Information

Molecular Formula
C5H9BrO3
SMILES
COC(=O)OCCCBr
InChI
InChI=1S/C5H9BrO3/c1-8-5(7)9-4-2-3-6/h2-4H2,1H3
InChIKey
HAGTVFOITQBIHW-UHFFFAOYSA-N
Compound name
3-bromopropyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

195.97351 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.980786 132.2
[M+Na]+ 218.962728 143.3
[M-H]- 194.966234 135.4
[M+NH4]+ 214.007333 155.2
[M+K]+ 234.936668 134.7
[M+H-H2O]+ 178.970770 132.8
[M+HCOO]- 240.971711 153.7
[M+CH3COO]- 254.987361 179.5
[M+Na-2H]- 216.948176 139.6
[M]+ 195.97296142 154.0
[M]- 195.97405858 154.0
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