CID 53418929

73425-09-9

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CCC1=CC=CC2=C1NC(=O)C2

InChI

InChI=1S/C10H11NO/c1-2-7-4-3-5-8-6-9(12)11-10(7)8/h3-5H,2,6H2,1H3,(H,11,12)

InChIKey

PGSRQDDORRHHFB-UHFFFAOYSA-N

Compound name

7-ethyl-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 161.08406 Da
Monoisotopic Mass: 1.6
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]+	162.09134	133.1
[M+Na]+	184.07328	142.2
[M-H]-	160.07678	135.2
[M+NH4]+	179.11788	155.1
[M+K]+	200.04722	138.5
[M+H-H2O]+	144.08132	127.5
[M+HCOO]-	206.08226	154.2
[M+CH3COO]-	220.09791	175.5
[M+Na-2H]-	182.05873	138.5
[M]+	161.08351	131.6
[M]-	161.08461	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe