CID 10976612

5-ethoxy-1,3-dimethylindolin-2-one

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CCOC1=CC2=C(C=C1)N(C(=O)C2C)C

InChI

InChI=1S/C12H15NO2/c1-4-15-9-5-6-11-10(7-9)8(2)12(14)13(11)3/h5-8H,4H2,1-3H3

InChIKey

JMRWLRFPUMZEGA-UHFFFAOYSA-N

Compound name

5-ethoxy-1,3-dimethyl-3H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 205.11028 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]+	206.117556	144.0
[M+Na]+	228.099498	154.5
[M-H]-	204.103004	148.0
[M+NH4]+	223.144103	165.6
[M+K]+	244.073438	151.7
[M+H-H2O]+	188.107540	138.3
[M+HCOO]-	250.108481	166.1
[M+CH3COO]-	264.124131	188.5
[M+Na-2H]-	226.084946	147.6
[M]+	205.10973142	147.4
[M]-	205.11082858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe