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

1
Patents

158.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 128.0
[M+Na]+ 181.047118 136.8
[M-H]- 157.050624 131.6
[M+NH4]+ 176.091723 147.6
[M+K]+ 197.021058 137.4
[M+H-H2O]+ 141.055160 123.3
[M+HCOO]- 203.056101 149.1
[M+CH3COO]- 217.071751 174.2
[M+Na-2H]- 179.032566 134.0
[M]+ 158.05735142 129.4
[M]- 158.05844858 129.4
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