CID 13937810

108906-13-4

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

C1C(NC2=CC=CC=C21)C(=O)N

InChI

InChI=1S/C9H10N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-4,8,11H,5H2,(H2,10,12)

InChIKey

ATEDHUGCKSZDCP-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 155
Patents: 162.07932 Da
Monoisotopic Mass: 0.9
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]+	163.086596	132.9
[M+Na]+	185.068538	140.3
[M-H]-	161.072044	134.4
[M+NH4]+	180.113143	153.9
[M+K]+	201.042478	137.0
[M+H-H2O]+	145.076580	126.9
[M+HCOO]-	207.077521	153.8
[M+CH3COO]-	221.093171	176.4
[M+Na-2H]-	183.053986	137.9
[M]+	162.07877142	128.4
[M]-	162.07986858	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe