CID 85993205

4-hydroxy-6-methoxy-5-methyl-1(3h)-isobenzofuranone

Structural Information

Molecular Formula
C10H10O4
SMILES
CC1=C(C=C2C(=C1O)COC2=O)OC
InChI
InChI=1S/C10H10O4/c1-5-8(13-2)3-6-7(9(5)11)4-14-10(6)12/h3,11H,4H2,1-2H3
InChIKey
NUAKROUEBAHTAU-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methoxy-5-methyl-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 136.1
[M+Na]+ 217.04712 146.9
[M-H]- 193.05062 141.1
[M+NH4]+ 212.09172 157.3
[M+K]+ 233.02106 145.9
[M+H-H2O]+ 177.05516 131.9
[M+HCOO]- 239.05610 158.2
[M+CH3COO]- 253.07175 181.6
[M+Na-2H]- 215.03257 141.6
[M]+ 194.05735 140.0
[M]- 194.05845 140.0
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.