CID 5492050

2-hydroxy-2-butenedial

Structural Information

Molecular Formula
C4H4O3
SMILES
C(=C\O)\C(=O)C=O
InChI
InChI=1S/C4H4O3/c5-2-1-4(7)3-6/h1-3,5H/b2-1-
InChIKey
ZLWNFOVEHWUAJI-UPHRSURJSA-N
Compound name
(Z)-4-hydroxy-2-oxobut-3-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

100.016045 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.023321 114.9
[M+Na]+ 123.005263 123.3
[M-H]- 99.008769 114.3
[M+NH4]+ 118.049868 137.4
[M+K]+ 138.979203 122.7
[M+H-H2O]+ 83.013305 111.1
[M+HCOO]- 145.014246 138.2
[M+CH3COO]- 159.029896 161.7
[M+Na-2H]- 120.990711 121.4
[M]+ 100.01549642 115.1
[M]- 100.01659358 115.1
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

patents stripe