CID 10130020

Microthecin

Structural Information

Molecular Formula
C6H8O4
SMILES
C1C=CC(=O)C(O1)(CO)O
InChI
InChI=1S/C6H8O4/c7-4-6(9)5(8)2-1-3-10-6/h1-2,7,9H,3-4H2
InChIKey
FUJVJJBVXLPRQJ-UHFFFAOYSA-N
Compound name
6-hydroxy-6-(hydroxymethyl)-2H-pyran-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

161
Patents

144.04225 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 124.9
[M+Na]+ 167.03147 132.7
[M-H]- 143.03497 126.9
[M+NH4]+ 162.07607 145.7
[M+K]+ 183.00541 132.9
[M+H-H2O]+ 127.03951 121.0
[M+HCOO]- 189.04045 144.7
[M+CH3COO]- 203.05610 165.7
[M+Na-2H]- 165.01692 133.5
[M]+ 144.04170 123.6
[M]- 144.04280 123.6
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.