CID 18525744

828242-07-5

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CNCC1=CC(=CC=C1)N2CCCC2

InChI

InChI=1S/C12H18N2/c1-13-10-11-5-4-6-12(9-11)14-7-2-3-8-14/h4-6,9,13H,2-3,7-8,10H2,1H3

InChIKey

UPWCDHABVAGLNO-UHFFFAOYSA-N

Compound name

N-methyl-1-(3-pyrrolidin-1-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 190.147 Da
Monoisotopic Mass: 1.9
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]+	191.15428	143.3
[M+Na]+	213.13622	148.7
[M-H]-	189.13972	148.0
[M+NH4]+	208.18082	162.8
[M+K]+	229.11016	145.7
[M+H-H2O]+	173.14426	135.5
[M+HCOO]-	235.14520	166.0
[M+CH3COO]-	249.16085	185.2
[M+Na-2H]-	211.12167	147.6
[M]+	190.14645	139.7
[M]-	190.14755	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe