CID 185740

Siderin

Structural Information

Molecular Formula

C₁₂H₁₂O₄

SMILES

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

InChI

InChI=1S/C12H12O4/c1-7-4-8(14-2)5-10-12(7)9(15-3)6-11(13)16-10/h4-6H,1-3H3

InChIKey

LLTOPKQGFAAMKH-UHFFFAOYSA-N

Compound name

4,7-dimethoxy-5-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 255
Patents: 220.07356 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]+	221.08084	142.2
[M+Na]+	243.06278	153.7
[M-H]-	219.06628	148.8
[M+NH4]+	238.10738	161.4
[M+K]+	259.03672	153.1
[M+H-H2O]+	203.07082	136.2
[M+HCOO]-	265.07176	165.9
[M+CH3COO]-	279.08741	190.0
[M+Na-2H]-	241.04823	150.4
[M]+	220.07301	149.4
[M]-	220.07411	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe