CID 372101

65112-88-1

Structural Information

Molecular Formula

C₁₂H₁₁NO₄

SMILES

CCOC(=O)C(=O)C1C2=CC=CC=C2NC1=O

InChI

InChI=1S/C12H11NO4/c1-2-17-12(16)10(14)9-7-5-3-4-6-8(7)13-11(9)15/h3-6,9H,2H2,1H3,(H,13,15)

InChIKey

UXGCSFRJKPEYBN-UHFFFAOYSA-N

Compound name

ethyl 2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 233.0688 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]+	234.07608	150.5
[M+Na]+	256.05802	160.3
[M+NH4]+	251.10262	156.6
[M+K]+	272.03196	158.0
[M-H]-	232.06152	149.4
[M+Na-2H]-	254.04347	152.8
[M]+	233.06825	151.1
[M]-	233.06935	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe