CID 12752037

Neoflavonoid derivative, 6a

Structural Information

Molecular Formula
C15H14O4
SMILES
C=CCOC1=CC2=C(C=CC(=O)O2)C(=C1)OCC=C
InChI
InChI=1S/C15H14O4/c1-3-7-17-11-9-13(18-8-4-2)12-5-6-15(16)19-14(12)10-11/h3-6,9-10H,1-2,7-8H2
InChIKey
CMEOWPQXAZBNFL-UHFFFAOYSA-N
Compound name
5,7-bis(prop-2-enoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

258.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 154.2
[M+Na]+ 281.07842 164.0
[M-H]- 257.08192 159.8
[M+NH4]+ 276.12302 171.2
[M+K]+ 297.05236 161.4
[M+H-H2O]+ 241.08646 147.4
[M+HCOO]- 303.08740 177.2
[M+CH3COO]- 317.10305 196.2
[M+Na-2H]- 279.06387 161.3
[M]+ 258.08865 160.5
[M]- 258.08975 160.5
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