CID 172429292

Chebi:232447

Structural Information

Molecular Formula
C10H10O5
SMILES
CC1=C(C(=C2COC(=O)C2=C1O)CO)O
InChI
InChI=1S/C10H10O5/c1-4-8(12)5(2-11)6-3-15-10(14)7(6)9(4)13/h11-13H,2-3H2,1H3
InChIKey
RHVGQASKMUVSIS-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-4-(hydroxymethyl)-6-methyl-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05283 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 140.1
[M+Na]+ 233.04205 150.6
[M-H]- 209.04555 142.6
[M+NH4]+ 228.08665 159.4
[M+K]+ 249.01599 148.5
[M+H-H2O]+ 193.05009 136.3
[M+HCOO]- 255.05103 159.2
[M+CH3COO]- 269.06668 180.5
[M+Na-2H]- 231.02750 144.0
[M]+ 210.05228 142.1
[M]- 210.05338 142.1
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.