CID 29449

19137-61-2

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

CN1CCCC1C2=CN(C3=CC=CC=C32)C

InChI

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

InChIKey

ONASFMNNONUTBN-UHFFFAOYSA-N

Compound name

1-methyl-3-(1-methylpyrrolidin-2-yl)indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 214.147 Da
Monoisotopic Mass: 2.4
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	149.0
[M+Na]+	237.136218	158.8
[M-H]-	213.139724	154.7
[M+NH4]+	232.180823	170.2
[M+K]+	253.110158	154.6
[M+H-H2O]+	197.144260	141.6
[M+HCOO]-	259.145201	170.9
[M+CH3COO]-	273.160851	162.5
[M+Na-2H]-	235.121666	151.2
[M]+	214.14645142	149.4
[M]-	214.14754858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe