CID 29444

19134-08-8

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

CC1(CCC(N1)C2=CNC3=CC=CC=C32)C

InChI

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

InChIKey

UNTIZCNGJXXFCN-UHFFFAOYSA-N

Compound name

3-(5,5-dimethylpyrrolidin-2-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 214.147 Da
Monoisotopic Mass: 2.6
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	158.6
[M-H]-	213.139724	152.6
[M+NH4]+	232.180823	171.0
[M+K]+	253.110158	152.7
[M+H-H2O]+	197.144260	142.7
[M+HCOO]-	259.145201	168.5
[M+CH3COO]-	273.160851	161.7
[M+Na-2H]-	235.121666	152.7
[M]+	214.14645142	146.2
[M]-	214.14754858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe