CID 10511897

1-benzyl-3-methylpyrrolidin-3-amine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CC1(CCN(C1)CC2=CC=CC=C2)N

InChI

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

InChIKey

GMZNKWUBDUKXRX-UHFFFAOYSA-N

Compound name

1-benzyl-3-methylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 190.147 Da
Monoisotopic Mass: 1.2
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	144.3
[M+Na]+	213.13622	155.5
[M+NH4]+	208.18082	154.9
[M+K]+	229.11016	148.3
[M-H]-	189.13972	148.4
[M+Na-2H]-	211.12167	153.0
[M]+	190.14645	147.1
[M]-	190.14755	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe