CID 3057980

74332-87-9

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: 1
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]+	218.190316	154.5
[M+Na]+	240.172258	158.2
[M-H]-	216.175764	158.4
[M+NH4]+	235.216863	172.9
[M+K]+	256.146198	155.1
[M+H-H2O]+	200.180300	146.4
[M+HCOO]-	262.181241	174.1
[M+CH3COO]-	276.196891	189.2
[M+Na-2H]-	238.157706	156.1
[M]+	217.18249142	151.7
[M]-	217.18358858	151.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.