CID 10035441

144043-17-4

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CN[C@@H]1CCN(C1)CC2=CC=CC=C2

InChI

InChI=1S/C12H18N2/c1-13-12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-/m1/s1

InChIKey

UEAYAIWNQQWSBK-GFCCVEGCSA-N

Compound name

(3R)-1-benzyl-N-methylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 489
Patents: 190.147 Da
Monoisotopic Mass: 1.5
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