CID 10013168

69478-77-9

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CN(C)C1CCN(C1)CC2=CC=CC=C2

InChI

InChI=1S/C13H20N2/c1-14(2)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3

InChIKey

SOTUMZCQANFRAM-UHFFFAOYSA-N

Compound name

1-benzyl-N,N-dimethylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 204.16264 Da
Monoisotopic Mass: 2.0
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]+	205.16992	148.2
[M+Na]+	227.15186	153.3
[M-H]-	203.15536	154.3
[M+NH4]+	222.19646	167.8
[M+K]+	243.12580	151.5
[M+H-H2O]+	187.15990	140.0
[M+HCOO]-	249.16084	171.1
[M+CH3COO]-	263.17649	191.7
[M+Na-2H]-	225.13731	151.2
[M]+	204.16209	146.2
[M]-	204.16319	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe