CID 131247601

Chebi:157706

Structural Information

Molecular Formula
C5H8O3
SMILES
C([C@H](/C=C/C=O)O)O
InChI
InChI=1S/C5H8O3/c6-3-1-2-5(8)4-7/h1-3,5,7-8H,4H2/b2-1+/t5-/m0/s1
InChIKey
MERWVFZVBUHPAV-WYPBCBNTSA-N
Compound name
(E,4S)-4,5-dihydroxypent-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

116.04734 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 122.2
[M+Na]+ 139.036558 129.4
[M-H]- 115.040064 120.0
[M+NH4]+ 134.081163 143.4
[M+K]+ 155.010498 128.2
[M+H-H2O]+ 99.044600 118.3
[M+HCOO]- 161.045541 143.5
[M+CH3COO]- 175.061191 163.1
[M+Na-2H]- 137.022006 127.5
[M]+ 116.04679142 121.5
[M]- 116.04788858 121.5
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

No patent data available for this compound.