CID 3057980

1-(1-phenylpentyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₃N

SMILES

CCCCC(C1=CC=CC=C1)N2CCCC2

InChI

InChI=1S/C15H23N/c1-2-3-11-15(16-12-7-8-13-16)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3

InChIKey

IOZMHEDSUZBONO-UHFFFAOYSA-N

Compound name

1-(1-phenylpentyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.18304 Da
Monoisotopic Mass: 4.1
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]+	218.19032	155.0
[M+Na]+	240.17226	166.3
[M+NH4]+	235.21686	164.2
[M+K]+	256.14620	160.0
[M-H]-	216.17576	158.7
[M+Na-2H]-	238.15771	161.9
[M]+	217.18249	157.6
[M]-	217.18359	157.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.