CID 29735

19671-80-8

Structural Information

Molecular Formula
C12H12O4
SMILES
CC1=C(OC2=C(C(=CC(=C12)O)C(=O)C)O)C
InChI
InChI=1S/C12H12O4/c1-5-7(3)16-12-10(5)9(14)4-8(6(2)13)11(12)15/h4,14-15H,1-3H3
InChIKey
YGIHMDFLKRATGH-UHFFFAOYSA-N
Compound name
1-(4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07356 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 144.8
[M+Na]+ 243.06278 158.0
[M+NH4]+ 238.10738 152.2
[M+K]+ 259.03672 155.6
[M-H]- 219.06628 146.7
[M+Na-2H]- 241.04823 148.2
[M]+ 220.07301 147.2
[M]- 220.07411 147.2
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.