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

2
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

literature stripe

Patent stripe

patents stripe