CID 5316891

Altechromone a

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

CC1=CC(=CC2=C1C(=O)C=C(O2)C)O

InChI

InChI=1S/C11H10O3/c1-6-3-8(12)5-10-11(6)9(13)4-7(2)14-10/h3-5,12H,1-2H3

InChIKey

CRNGFKXWIYTEPH-UHFFFAOYSA-N

Compound name

7-hydroxy-2,5-dimethylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 48
Patents: 190.06299 Da
Monoisotopic Mass: 1.9
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]+	191.07027	135.0
[M+Na]+	213.05221	146.7
[M-H]-	189.05571	140.5
[M+NH4]+	208.09681	154.8
[M+K]+	229.02615	144.8
[M+H-H2O]+	173.06025	129.8
[M+HCOO]-	235.06119	157.3
[M+CH3COO]-	249.07684	182.3
[M+Na-2H]-	211.03766	143.2
[M]+	190.06244	138.6
[M]-	190.06354	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe