CID 19860766

120713-59-9

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CCC1(C2=C(C=CC(=C2)O)N(C1=O)C)C

InChI

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

InChIKey

HXTZVERNCJVVLU-UHFFFAOYSA-N

Compound name

3-ethyl-5-hydroxy-1,3-dimethylindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	206.11756	144.9
[M+Na]+	228.09950	157.3
[M+NH4]+	223.14410	154.5
[M+K]+	244.07344	151.1
[M-H]-	204.10300	145.9
[M+Na-2H]-	226.08495	150.2
[M]+	205.10973	147.0
[M]-	205.11083	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe