CID 19000545

107259-16-5

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

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

InChI

InChI=1S/C13H20N2/c1-11(14)13-7-8-15(10-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3

InChIKey

MVLOUNCMDFCYHO-UHFFFAOYSA-N

Compound name

1-(1-benzylpyrrolidin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 204.16264 Da
Monoisotopic Mass: 1.6
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	149.0
[M+Na]+	227.15186	153.7
[M-H]-	203.15536	153.2
[M+NH4]+	222.19646	167.6
[M+K]+	243.12580	150.6
[M+H-H2O]+	187.15990	141.2
[M+HCOO]-	249.16084	169.7
[M+CH3COO]-	263.17649	188.4
[M+Na-2H]-	225.13731	150.5
[M]+	204.16209	144.2
[M]-	204.16319	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe