CID 15114468

Xi-2,3-dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one

Structural Information

Molecular Formula
C7H10O4
SMILES
CC1=C(C(=O)C(CO1)O)OC
InChI
InChI=1S/C7H10O4/c1-4-7(10-2)6(9)5(8)3-11-4/h5,8H,3H2,1-2H3
InChIKey
JOWYHBUWSWRYOG-UHFFFAOYSA-N
Compound name
3-hydroxy-5-methoxy-6-methyl-2,3-dihydropyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 129.2
[M+Na]+ 181.04712 140.9
[M+NH4]+ 176.09172 136.7
[M+K]+ 197.02106 136.9
[M-H]- 157.05062 131.0
[M+Na-2H]- 179.03257 133.1
[M]+ 158.05735 131.2
[M]- 158.05845 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.