CID 5355836

4-methyldaphnetin

Structural Information

Molecular Formula

C₁₀H₈O₄

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2O)O

InChI

InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3

InChIKey

NWQBYMPNIJXFNQ-UHFFFAOYSA-N

Compound name

7,8-dihydroxy-4-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 49
References: 270
Patents: 192.04225 Da
Monoisotopic Mass: 1.1
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]+	193.04953	135.2
[M+Na]+	215.03147	150.0
[M+NH4]+	210.07607	143.3
[M+K]+	231.00541	144.8
[M-H]-	191.03497	138.1
[M+Na-2H]-	213.01692	140.8
[M]+	192.04170	138.1
[M]-	192.04280	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe