CID 16757192

3-methyl-6-hydroxy-8-methoxy-3,4-dihydroisocoumarin

Structural Information

Molecular Formula
C11H12O4
SMILES
CC1CC2=C(C(=CC(=C2)O)OC)C(=O)O1
InChI
InChI=1S/C11H12O4/c1-6-3-7-4-8(12)5-9(14-2)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3
InChIKey
WGUHOBJSLARYHD-UHFFFAOYSA-N
Compound name
6-hydroxy-8-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

208.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 140.6
[M+Na]+ 231.062778 150.0
[M-H]- 207.066284 145.2
[M+NH4]+ 226.107383 159.3
[M+K]+ 247.036718 149.1
[M+H-H2O]+ 191.070820 135.2
[M+HCOO]- 253.071761 160.1
[M+CH3COO]- 267.087411 185.2
[M+Na-2H]- 229.048226 146.9
[M]+ 208.07301142 142.7
[M]- 208.07410858 142.7
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.