CID 3057963

74332-77-7

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CCC(C1=CC=CC=C1)N2CCCC2

InChI

InChI=1S/C13H19N/c1-2-13(14-10-6-7-11-14)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3

InChIKey

CNCVMCNGUPWUSW-UHFFFAOYSA-N

Compound name

1-(1-phenylpropyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 189.15175 Da
Monoisotopic Mass: 3.2
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]+	190.159026	145.3
[M+Na]+	212.140968	149.9
[M-H]-	188.144474	149.6
[M+NH4]+	207.185573	164.8
[M+K]+	228.114908	147.3
[M+H-H2O]+	172.149010	137.6
[M+HCOO]-	234.149951	165.6
[M+CH3COO]-	248.165601	183.2
[M+Na-2H]-	210.126416	148.0
[M]+	189.15120142	141.7
[M]-	189.15229858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe