CID 29456

19137-74-7

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

CCC1CCC(N1)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C14H18N2/c1-2-10-7-8-14(16-10)12-9-15-13-6-4-3-5-11(12)13/h3-6,9-10,14-16H,2,7-8H2,1H3

InChIKey

MVZLYWOPTCNQHC-UHFFFAOYSA-N

Compound name

3-(5-ethylpyrrolidin-2-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 214.147 Da
Monoisotopic Mass: 2.9
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]+	215.154276	149.5
[M+Na]+	237.136218	157.5
[M-H]-	213.139724	152.1
[M+NH4]+	232.180823	168.9
[M+K]+	253.110158	151.6
[M+H-H2O]+	197.144260	142.3
[M+HCOO]-	259.145201	168.4
[M+CH3COO]-	273.160851	161.2
[M+Na-2H]-	235.121666	151.6
[M]+	214.14645142	145.8
[M]-	214.14754858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe