CID 17926

2895-68-3

Structural Information

Molecular Formula

C₁₄H₁₈ClNO

SMILES

C1CCN(C1)CCCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClNO/c15-13-7-5-12(6-8-13)14(17)4-3-11-16-9-1-2-10-16/h5-8H,1-4,9-11H2

InChIKey

VPTUKCWZIASSEN-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 251.1077 Da
Monoisotopic Mass: 2.5
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]+	252.11498	159.1
[M+Na]+	274.09692	165.3
[M-H]-	250.10042	163.4
[M+NH4]+	269.14152	177.1
[M+K]+	290.07086	160.3
[M+H-H2O]+	234.10496	151.7
[M+HCOO]-	296.10590	174.8
[M+CH3COO]-	310.12155	192.1
[M+Na-2H]-	272.08237	160.0
[M]+	251.10715	159.0
[M]-	251.10825	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe