CID 131751030

(s)-2,3-dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran

Structural Information

Molecular Formula
C13H14O4
SMILES
CC(=C)C1CC2=CC(=C(C=C2O1)O)C(=O)CO
InChI
InChI=1S/C13H14O4/c1-7(2)12-4-8-3-9(11(16)6-14)10(15)5-13(8)17-12/h3,5,12,14-15H,1,4,6H2,2H3
InChIKey
DSPWIGNSRMCMGP-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 151.2
[M+Na]+ 257.07842 161.2
[M+NH4]+ 252.12302 157.8
[M+K]+ 273.05236 159.3
[M-H]- 233.08192 151.9
[M+Na-2H]- 255.06387 152.5
[M]+ 234.08865 152.5
[M]- 234.08975 152.5
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.