CID 12861920

70325-82-5

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CC1C(CCN1CC2=CC=CC=C2)N

InChI

InChI=1S/C12H18N2/c1-10-12(13)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3

InChIKey

SFEGZLNDKUGHQJ-UHFFFAOYSA-N

Compound name

1-benzyl-2-methylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 190.147 Da
Monoisotopic Mass: 1.4
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]+	191.15428	143.8
[M+Na]+	213.13622	150.2
[M-H]-	189.13972	148.5
[M+NH4]+	208.18082	163.4
[M+K]+	229.11016	146.8
[M+H-H2O]+	173.14426	136.4
[M+HCOO]-	235.14520	165.9
[M+CH3COO]-	249.16085	185.6
[M+Na-2H]-	211.12167	146.4
[M]+	190.14645	139.7
[M]-	190.14755	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe