CID 3057477

H 476

Structural Information

Molecular Formula

C₁₅H₂₂ClN

SMILES

CCCCC(C1=CC=C(C=C1)Cl)N2CCCC2

InChI

InChI=1S/C15H22ClN/c1-2-3-6-15(17-11-4-5-12-17)13-7-9-14(16)10-8-13/h7-10,15H,2-6,11-12H2,1H3

InChIKey

BVELYKBYXKBQPR-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)pentyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.14407 Da
Monoisotopic Mass: 4.7
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]+	252.15135	161.7
[M+Na]+	274.13329	167.2
[M-H]-	250.13679	165.7
[M+NH4]+	269.17789	179.8
[M+K]+	290.10723	162.0
[M+H-H2O]+	234.14133	154.1
[M+HCOO]-	296.14227	176.6
[M+CH3COO]-	310.15792	194.0
[M+Na-2H]-	272.11874	161.9
[M]+	251.14352	161.2
[M]-	251.14462	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe