CID 66144

Ethyl bromopyruvate

Structural Information

Molecular Formula
C5H7BrO3
SMILES
CCOC(=O)C(=O)CBr
InChI
InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3
InChIKey
VICYTAYPKBLQFB-UHFFFAOYSA-N
Compound name
ethyl 3-bromo-2-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

8269
Patents

193.95786 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.965136 130.7
[M+Na]+ 216.947078 141.8
[M-H]- 192.950584 134.0
[M+NH4]+ 211.991683 153.5
[M+K]+ 232.921018 133.0
[M+H-H2O]+ 176.955120 131.4
[M+HCOO]- 238.956061 151.4
[M+CH3COO]- 252.971711 180.1
[M+Na-2H]- 214.932526 137.0
[M]+ 193.95731142 151.3
[M]- 193.95840858 151.3
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