CID 102304306

3-(2-oxopropyl)-6,8-dihydroxyisocoumarin

Structural Information

Molecular Formula
C12H10O5
SMILES
CC(=O)CC1=CC2=CC(=CC(=C2C(=O)O1)O)O
InChI
InChI=1S/C12H10O5/c1-6(13)2-9-4-7-3-8(14)5-10(15)11(7)12(16)17-9/h3-5,14-15H,2H2,1H3
InChIKey
ASXQQFFJWJUYLO-UHFFFAOYSA-N
Compound name
6,8-dihydroxy-3-(2-oxopropyl)isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05283 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06011 146.7
[M+Na]+ 257.04205 160.2
[M+NH4]+ 252.08665 153.4
[M+K]+ 273.01599 155.9
[M-H]- 233.04555 148.5
[M+Na-2H]- 255.02750 150.8
[M]+ 234.05228 149.0
[M]- 234.05338 149.0
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.