CID 10704719

Granulosin

Structural Information

Molecular Formula

C₁₃H₁₂O₄

SMILES

CCCC1=CC(=O)C2=C(O1)C3=C(C=C2)OCO3

InChI

InChI=1S/C13H12O4/c1-2-3-8-6-10(14)9-4-5-11-13(12(9)17-8)16-7-15-11/h4-6H,2-3,7H2,1H3

InChIKey

ZLSMKNSRCLUQBA-UHFFFAOYSA-N

Compound name

8-propyl-[1,3]dioxolo[4,5-h]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 232.07356 Da
Monoisotopic Mass: 2.5
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]+	233.08084	146.2
[M+Na]+	255.06278	160.8
[M+NH4]+	250.10738	155.2
[M+K]+	271.03672	156.8
[M-H]-	231.06628	152.7
[M+Na-2H]-	253.04823	150.0
[M]+	232.07301	150.3
[M]-	232.07411	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe