CID 135886619

2-oxopenta-3,4-dienoate

Structural Information

Molecular Formula
C5H4O3
SMILES
C=C[CH+]C(=O)C(=O)[O-]
InChI
InChI=1S/C5H4O3/c1-2-3-4(6)5(7)8/h2-3H,1H2
InChIKey
FENSZBJNBBUHJX-UHFFFAOYSA-N
Compound name
2-oxopent-4-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

112.016045 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.02332 120.3
[M+Na]+ 135.00526 131.8
[M+NH4]+ 130.04987 127.6
[M+K]+ 150.97920 129.6
[M-H]- 111.00877 119.5
[M+Na-2H]- 132.99071 123.2
[M]+ 112.01550 121.3
[M]- 112.01659 121.3
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

patents stripe