CID 119039

Euparin

Structural Information

Molecular Formula
C13H12O3
SMILES
CC(=C)C1=CC2=CC(=C(C=C2O1)O)C(=O)C
InChI
InChI=1S/C13H12O3/c1-7(2)12-5-9-4-10(8(3)14)11(15)6-13(9)16-12/h4-6,15H,1H2,2-3H3
InChIKey
OPUFDNZTKHPZHM-UHFFFAOYSA-N
Compound name
1-(6-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

145
Patents

216.07864 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.085916 144.9
[M+Na]+ 239.067858 155.3
[M-H]- 215.071364 150.0
[M+NH4]+ 234.112463 165.0
[M+K]+ 255.041798 153.1
[M+H-H2O]+ 199.075900 140.3
[M+HCOO]- 261.076841 166.8
[M+CH3COO]- 275.092491 187.7
[M+Na-2H]- 237.053306 148.7
[M]+ 216.07809142 148.9
[M]- 216.07918858 148.9
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

patents stripe