CID 60145845

8-hydroxy-3-methoxy-3-methylisochroman-1-one

Structural Information

Molecular Formula
C11H12O4
SMILES
CC1(CC2=C(C(=CC=C2)O)C(=O)O1)OC
InChI
InChI=1S/C11H12O4/c1-11(14-2)6-7-4-3-5-8(12)9(7)10(13)15-11/h3-5,12H,6H2,1-2H3
InChIKey
AMFIIKPBEUZADT-UHFFFAOYSA-N
Compound name
8-hydroxy-3-methoxy-3-methyl-4H-isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 141.7
[M+Na]+ 231.06278 154.8
[M+NH4]+ 226.10738 151.4
[M+K]+ 247.03672 147.6
[M-H]- 207.06628 144.7
[M+Na-2H]- 229.04823 147.8
[M]+ 208.07301 144.5
[M]- 208.07411 144.5
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.