CID 25244172

Hmpdf

Structural Information

Molecular Formula
C8H10O3
SMILES
CC/C=C/1\C(=O)C(=C(O1)C)O
InChI
InChI=1S/C8H10O3/c1-3-4-6-8(10)7(9)5(2)11-6/h4,9H,3H2,1-2H3/b6-4+
InChIKey
JPLUXSIYIQGVTD-GQCTYLIASA-N
Compound name
(2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

154.06299 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 128.9
[M+Na]+ 177.05221 138.6
[M-H]- 153.05571 132.6
[M+NH4]+ 172.09681 150.5
[M+K]+ 193.02615 137.6
[M+H-H2O]+ 137.06025 124.9
[M+HCOO]- 199.06119 151.7
[M+CH3COO]- 213.07684 173.2
[M+Na-2H]- 175.03766 133.1
[M]+ 154.06244 130.5
[M]- 154.06354 130.5
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

No patent data available for this compound.