CID 2758554

288399-57-5

Structural Information

Molecular Formula

C₁₂H₁₀O₄

SMILES

CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)O)C

InChI

InChI=1S/C12H10O4/c1-6-3-7(2)11-8(4-6)9(13)5-10(16-11)12(14)15/h3-5H,1-2H3,(H,14,15)

InChIKey

PQUJCDXKEIHDCF-UHFFFAOYSA-N

Compound name

6,8-dimethyl-4-oxochromene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 218.0579 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.065176	141.5
[M+Na]+	241.047118	152.5
[M-H]-	217.050624	146.8
[M+NH4]+	236.091723	159.8
[M+K]+	257.021058	151.0
[M+H-H2O]+	201.055160	136.0
[M+HCOO]-	263.056101	162.8
[M+CH3COO]-	277.071751	187.7
[M+Na-2H]-	239.032566	148.0
[M]+	218.05735142	145.5
[M]-	218.05844858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe