CID 11243002

Naphyrone

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

CCCC(C(=O)C1=CC2=CC=CC=C2C=C1)N3CCCC3

InChI

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

InChIKey

DTNUPBSOODGRKW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 25
References: 90
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]+	282.18526	169.8
[M+Na]+	304.16720	173.9
[M-H]-	280.17070	174.7
[M+NH4]+	299.21180	186.4
[M+K]+	320.14114	169.4
[M+H-H2O]+	264.17524	161.3
[M+HCOO]-	326.17618	187.2
[M+CH3COO]-	340.19183	201.8
[M+Na-2H]-	302.15265	170.2
[M]+	281.17743	167.5
[M]-	281.17853	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe