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 128.0
[M+Na]+ 181.04712 136.8
[M-H]- 157.05062 131.6
[M+NH4]+ 176.09172 147.6
[M+K]+ 197.02106 137.4
[M+H-H2O]+ 141.05516 123.3
[M+HCOO]- 203.05610 149.1
[M+CH3COO]- 217.07175 174.2
[M+Na-2H]- 179.03257 134.0
[M]+ 158.05735 129.4
[M]- 158.05845 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

No patent data available for this compound.