CID 10330560

1-benzyl-3-(ethylamino)pyrrolidine

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CCNC1CCN(C1)CC2=CC=CC=C2

InChI

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

InChIKey

ZSIUSRJKSLXIJH-UHFFFAOYSA-N

Compound name

1-benzyl-N-ethylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 204.16264 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]+	205.169916	147.8
[M+Na]+	227.151858	152.8
[M-H]-	203.155364	152.3
[M+NH4]+	222.196463	166.8
[M+K]+	243.125798	149.5
[M+H-H2O]+	187.159900	139.8
[M+HCOO]-	249.160841	170.2
[M+CH3COO]-	263.176491	188.2
[M+Na-2H]-	225.137306	151.6
[M]+	204.16209142	144.6
[M]-	204.16318858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe