CID 155924527

Chembl5181220

Structural Information

Molecular Formula
C14H12O4
SMILES
CC(=C)[C@@H]1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3
InChI
InChI=1S/C14H12O4/c1-7(2)10-5-9-12(17-10)6-11-8(14(9)16)3-4-13(15)18-11/h3-4,6,10,16H,1,5H2,2H3/t10-/m0/s1
InChIKey
KGVOEEZUDJJYRJ-JTQLQIEISA-N
Compound name
(2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

244.07356 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 150.2
[M+Na]+ 267.06278 160.7
[M-H]- 243.06628 156.6
[M+NH4]+ 262.10738 168.8
[M+K]+ 283.03672 159.0
[M+H-H2O]+ 227.07082 145.5
[M+HCOO]- 289.07176 168.8
[M+CH3COO]- 303.08741 192.1
[M+Na-2H]- 265.04823 155.7
[M]+ 244.07301 153.6
[M]- 244.07411 153.6
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.