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]+ 196.98079 132.2
[M+Na]+ 218.96273 143.3
[M-H]- 194.96623 135.4
[M+NH4]+ 214.00733 155.2
[M+K]+ 234.93667 134.7
[M+H-H2O]+ 178.97077 132.8
[M+HCOO]- 240.97171 153.7
[M+CH3COO]- 254.98736 179.5
[M+Na-2H]- 216.94818 139.6
[M]+ 195.97296 154.0
[M]- 195.97406 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