CID 5462890

15218-44-7

Structural Information

Molecular Formula
C5H7BrO2
SMILES
C/C(=C(/C(=O)C)\Br)/O
InChI
InChI=1S/C5H7BrO2/c1-3(7)5(6)4(2)8/h7H,1-2H3/b5-3+
InChIKey
PXYVIMZMALBPQE-HWKANZROSA-N
Compound name
(E)-3-bromo-4-hydroxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.96294 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 127.6
[M+Na]+ 200.95216 128.0
[M+NH4]+ 195.99676 131.2
[M+K]+ 216.92610 130.7
[M-H]- 176.95566 124.6
[M+Na-2H]- 198.93761 127.6
[M]+ 177.96239 125.3
[M]- 177.96349 125.3
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

No patent data available for this compound.