CID 10943004

139122-19-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

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

InChI

InChI=1S/C10H11NO2/c12-5-4-7-2-1-3-9-8(7)6-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)

InChIKey

QRTHVOUKWCEPKJ-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethyl)-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 177.07898 Da
Monoisotopic Mass: 0.2
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]+	178.086256	136.7
[M+Na]+	200.068198	145.3
[M-H]-	176.071704	137.4
[M+NH4]+	195.112803	157.3
[M+K]+	216.042138	141.2
[M+H-H2O]+	160.076240	131.2
[M+HCOO]-	222.077181	156.5
[M+CH3COO]-	236.092831	175.0
[M+Na-2H]-	198.053646	141.8
[M]+	177.07843142	134.8
[M]-	177.07952858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe