CID 69245309

4-chloro-alpha-pvp

Structural Information

Molecular Formula

C₁₅H₂₀ClNO

SMILES

CCCC(C(=O)C1=CC=C(C=C1)Cl)N2CCCC2

InChI

InChI=1S/C15H20ClNO/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3

InChIKey

NIGBFBTVONRYQN-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-pyrrolidin-1-ylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 10
Patents: 265.12335 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]+	266.13063	163.7
[M+Na]+	288.11257	169.1
[M-H]-	264.11607	167.9
[M+NH4]+	283.15717	181.0
[M+K]+	304.08651	164.3
[M+H-H2O]+	248.12061	156.3
[M+HCOO]-	310.12155	178.0
[M+CH3COO]-	324.13720	196.0
[M+Na-2H]-	286.09802	162.8
[M]+	265.12280	163.4
[M]-	265.12390	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe