CID 20577021

3-(2,3-dihydro-1h-indol-1-yl)propanenitrile

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1CN(C2=CC=CC=C21)CCC#N

InChI

InChI=1S/C11H12N2/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-5H,3,6,8-9H2

InChIKey

TUVNVZQRVAQHKU-UHFFFAOYSA-N

Compound name

3-(2,3-dihydroindol-1-yl)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 172.10005 Da
Monoisotopic Mass: 1.8
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]+	173.107326	137.6
[M+Na]+	195.089268	147.9
[M-H]-	171.092774	139.7
[M+NH4]+	190.133873	157.2
[M+K]+	211.063208	142.6
[M+H-H2O]+	155.097310	124.4
[M+HCOO]-	217.098251	155.9
[M+CH3COO]-	231.113901	149.5
[M+Na-2H]-	193.074716	143.2
[M]+	172.09950142	132.1
[M]-	172.10059858	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe