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

3
Patents

100.016045 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.02332 114.9
[M+Na]+ 123.00526 123.3
[M-H]- 99.008769 114.3
[M+NH4]+ 118.04987 137.4
[M+K]+ 138.97920 122.7
[M+H-H2O]+ 83.013305 111.1
[M+HCOO]- 145.01425 138.2
[M+CH3COO]- 159.02990 161.7
[M+Na-2H]- 120.99071 121.4
[M]+ 100.01550 115.1
[M]- 100.01659 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