CID 11183175

Methyl 3-bromo-2-oxobutanoate

Structural Information

Molecular Formula
C5H7BrO3
SMILES
CC(C(=O)C(=O)OC)Br
InChI
InChI=1S/C5H7BrO3/c1-3(6)4(7)5(8)9-2/h3H,1-2H3
InChIKey
HYDCQMJFDPQCJH-UHFFFAOYSA-N
Compound name
methyl 3-bromo-2-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

399
Patents

193.95786 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.96514 129.5
[M+Na]+ 216.94708 130.0
[M+NH4]+ 211.99168 132.9
[M+K]+ 232.92102 132.9
[M-H]- 192.95058 126.5
[M+Na-2H]- 214.93253 129.7
[M]+ 193.95731 127.2
[M]- 193.95841 127.2
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

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