CID 11629811

57803-14-2

Structural Information

Molecular Formula

C₁₁H₈O₄

SMILES

CC1=CC(=O)C2=CC3=C(C=C2O1)OCO3

InChI

InChI=1S/C11H8O4/c1-6-2-8(12)7-3-10-11(14-5-13-10)4-9(7)15-6/h2-4H,5H2,1H3

InChIKey

XDFAYZOINRRSMW-UHFFFAOYSA-N

Compound name

6-methyl-[1,3]dioxolo[4,5-g]chromen-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 204.04225 Da
Monoisotopic Mass: 1.7
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]+	205.04953	136.8
[M+Na]+	227.03147	151.9
[M+NH4]+	222.07607	146.2
[M+K]+	243.00541	148.4
[M-H]-	203.03497	143.4
[M+Na-2H]-	225.01692	141.2
[M]+	204.04170	141.0
[M]-	204.04280	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe