CID 11565402

1349245-31-3

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

CCCC(C(=O)C1=CC=CC2=CC=CC=C21)N3CCCC3

InChI

InChI=1S/C19H23NO/c1-2-8-18(20-13-5-6-14-20)19(21)17-12-7-10-15-9-3-4-11-16(15)17/h3-4,7,9-12,18H,2,5-6,8,13-14H2,1H3

InChIKey

PDYIKONOBSBEMS-UHFFFAOYSA-N

Compound name

1-naphthalen-1-yl-2-pyrrolidin-1-ylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 281.17798 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]+	282.185256	169.8
[M+Na]+	304.167198	173.9
[M-H]-	280.170704	174.7
[M+NH4]+	299.211803	186.4
[M+K]+	320.141138	169.4
[M+H-H2O]+	264.175240	161.3
[M+HCOO]-	326.176181	187.2
[M+CH3COO]-	340.191831	201.8
[M+Na-2H]-	302.152646	170.2
[M]+	281.17743142	167.5
[M]-	281.17852858	167.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.