CID 69245534

Alpha-phpp

Structural Information

Molecular Formula

C₁₇H₂₅NO

SMILES

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

InChI

InChI=1S/C17H25NO/c1-2-3-5-12-16(18-13-8-9-14-18)17(19)15-10-6-4-7-11-15/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3

InChIKey

DLRWKNLMJAIFQB-UHFFFAOYSA-N

Compound name

1-phenyl-2-pyrrolidin-1-ylheptan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 47
Patents: 259.1936 Da
Monoisotopic Mass: 4.5
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]+	260.200876	166.3
[M+Na]+	282.182818	169.1
[M-H]-	258.186324	170.0
[M+NH4]+	277.227423	182.7
[M+K]+	298.156758	165.8
[M+H-H2O]+	242.190860	157.8
[M+HCOO]-	304.191801	184.6
[M+CH3COO]-	318.207451	197.1
[M+Na-2H]-	280.168266	165.6
[M]+	259.19305142	164.2
[M]-	259.19414858	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe