CID 506550

2-methyl-4-(1-methylindol-2-yl)-2h-furan-5-one

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

CC1C=C(C(=O)O1)C2=CC3=CC=CC=C3N2C

InChI

InChI=1S/C14H13NO2/c1-9-7-11(14(16)17-9)13-8-10-5-3-4-6-12(10)15(13)2/h3-9H,1-2H3

InChIKey

MSTWSIKFWXXUGT-UHFFFAOYSA-N

Compound name

2-methyl-4-(1-methylindol-2-yl)-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 227.09464 Da
Monoisotopic Mass: 2.4
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]+	228.101916	147.9
[M+Na]+	250.083858	159.8
[M-H]-	226.087364	156.5
[M+NH4]+	245.128463	168.8
[M+K]+	266.057798	157.0
[M+H-H2O]+	210.091900	142.2
[M+HCOO]-	272.092841	172.1
[M+CH3COO]-	286.108491	162.9
[M+Na-2H]-	248.069306	151.5
[M]+	227.09409142	152.3
[M]-	227.09518858	152.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.