CID 352460

27704-96-7

Structural Information

Molecular Formula
C5H9BrO3
SMILES
COCC(C(=O)OC)Br
InChI
InChI=1S/C5H9BrO3/c1-8-3-4(6)5(7)9-2/h4H,3H2,1-2H3
InChIKey
NVBLRKGCQVZDMQ-UHFFFAOYSA-N
Compound name
methyl 2-bromo-3-methoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

195.97351 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.98079 132.0
[M+Na]+ 218.96273 132.7
[M+NH4]+ 214.00733 135.7
[M+K]+ 234.93667 134.8
[M-H]- 194.96623 129.3
[M+Na-2H]- 216.94818 132.4
[M]+ 195.97296 129.9
[M]- 195.97406 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe