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 155.8
[M+Na]+ 283.09408 165.2
[M-H]- 259.09758 160.5
[M+NH4]+ 278.13868 172.3
[M+K]+ 299.06802 163.5
[M+H-H2O]+ 243.10212 149.8
[M+HCOO]- 305.10306 175.0
[M+CH3COO]- 319.11871 197.7
[M+Na-2H]- 281.07953 159.4
[M]+ 260.10431 160.2
[M]- 260.10541 160.2
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.