CID 11148955

Alpha-pyrrolidinovalerophenone

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

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

InChI

InChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3

InChIKey

YDIIDRWHPFMLGR-UHFFFAOYSA-N

Compound name

1-phenyl-2-pyrrolidin-1-ylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 98
References: 91
Patents: 231.16231 Da
Monoisotopic Mass: 3.4
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]+	232.16959	157.2
[M+Na]+	254.15153	167.7
[M+NH4]+	249.19613	165.4
[M+K]+	270.12547	162.7
[M-H]-	230.15503	159.9
[M+Na-2H]-	252.13698	163.2
[M]+	231.16176	159.3
[M]-	231.16286	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe