CID 86136221

5,7-dihydroxy-4,6-dimethylphthalide

Structural Information

Molecular Formula
C10H10O4
SMILES
CC1=C2COC(=O)C2=C(C(=C1O)C)O
InChI
InChI=1S/C10H10O4/c1-4-6-3-14-10(13)7(6)9(12)5(2)8(4)11/h11-12H,3H2,1-2H3
InChIKey
OXMQYBQLAILBAF-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-4,6-dimethyl-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

194.0579 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 136.5
[M+Na]+ 217.04712 147.7
[M-H]- 193.05062 140.5
[M+NH4]+ 212.09172 157.3
[M+K]+ 233.02106 145.9
[M+H-H2O]+ 177.05516 132.8
[M+HCOO]- 239.05610 157.0
[M+CH3COO]- 253.07175 180.5
[M+Na-2H]- 215.03257 140.9
[M]+ 194.05735 139.0
[M]- 194.05845 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.