CID 3075256

2-(2,3-dimethylchromon-6-yl)butanoic acid

Structural Information

Molecular Formula
C15H16O4
SMILES
CCC(C1=CC2=C(C=C1)OC(=C(C2=O)C)C)C(=O)O
InChI
InChI=1S/C15H16O4/c1-4-11(15(17)18)10-5-6-13-12(7-10)14(16)8(2)9(3)19-13/h5-7,11H,4H2,1-3H3,(H,17,18)
InChIKey
IMLRUCVOPUBTAE-UHFFFAOYSA-N
Compound name
2-(2,3-dimethyl-4-oxochromen-6-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 156.4
[M+Na]+ 283.09408 170.0
[M+NH4]+ 278.13868 163.5
[M+K]+ 299.06802 165.0
[M-H]- 259.09758 159.0
[M+Na-2H]- 281.07953 160.6
[M]+ 260.10431 159.1
[M]- 260.10541 159.1
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.