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]+ 117.05462 122.2
[M+Na]+ 139.03656 129.4
[M-H]- 115.04006 120.0
[M+NH4]+ 134.08116 143.4
[M+K]+ 155.01050 128.2
[M+H-H2O]+ 99.044600 118.3
[M+HCOO]- 161.04554 143.5
[M+CH3COO]- 175.06119 163.1
[M+Na-2H]- 137.02201 127.5
[M]+ 116.04679 121.5
[M]- 116.04789 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.