CID 9835313

750566-27-9

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

C1CCN(C1)CC(CC2=CC=CC=C2)N

InChI

InChI=1S/C13H20N2/c14-13(11-15-8-4-5-9-15)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14H2

InChIKey

YDLCAQYNXGDYTM-UHFFFAOYSA-N

Compound name

1-phenyl-3-pyrrolidin-1-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 204.16264 Da
Monoisotopic Mass: 1.8
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	148.9
[M+Na]+	227.15186	152.6
[M-H]-	203.15536	152.6
[M+NH4]+	222.19646	167.2
[M+K]+	243.12580	149.5
[M+H-H2O]+	187.15990	140.8
[M+HCOO]-	249.16084	169.6
[M+CH3COO]-	263.17649	187.3
[M+Na-2H]-	225.13731	151.1
[M]+	204.16209	143.7
[M]-	204.16319	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe