CID 88755

21017-50-5

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

C1=CC=C2C(=C1)C=CN2CCC(=O)N

InChI

InChI=1S/C11H12N2O/c12-11(14)6-8-13-7-5-9-3-1-2-4-10(9)13/h1-5,7H,6,8H2,(H2,12,14)

InChIKey

VITGGSSBWKUFGR-UHFFFAOYSA-N

Compound name

3-indol-1-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 23
Patents: 188.09496 Da
Monoisotopic Mass: 1.5
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]+	189.10224	139.3
[M+Na]+	211.08418	148.3
[M-H]-	187.08768	142.5
[M+NH4]+	206.12878	160.1
[M+K]+	227.05812	144.9
[M+H-H2O]+	171.09222	132.6
[M+HCOO]-	233.09316	163.9
[M+CH3COO]-	247.10881	184.4
[M+Na-2H]-	209.06963	145.6
[M]+	188.09441	140.2
[M]-	188.09551	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe