CID 247491

2525-35-1

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CCC1C2=CC=CC=C2N(C1=O)C

InChI

InChI=1S/C11H13NO/c1-3-8-9-6-4-5-7-10(9)12(2)11(8)13/h4-8H,3H2,1-2H3

InChIKey

DATXIRBYUHELMF-UHFFFAOYSA-N

Compound name

3-ethyl-1-methyl-3H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 175.09972 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]+	176.10700	136.6
[M+Na]+	198.08894	146.7
[M-H]-	174.09244	140.4
[M+NH4]+	193.13354	159.2
[M+K]+	214.06288	143.7
[M+H-H2O]+	158.09698	130.9
[M+HCOO]-	220.09792	158.9
[M+CH3COO]-	234.11357	182.3
[M+Na-2H]-	196.07439	141.4
[M]+	175.09917	137.8
[M]-	175.10027	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe