CID 112477320

Indanyl-n-ethylbuphedrone

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

CCC(C(=O)C1=CC2=C(CCC2)C=C1)NCC

InChI

InChI=1S/C15H21NO/c1-3-14(16-4-2)15(17)13-9-8-11-6-5-7-12(11)10-13/h8-10,14,16H,3-7H2,1-2H3

InChIKey

VJXZPPKMTRTYIH-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.16231 Da
Monoisotopic Mass: 3.3
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]+	232.169586	156.7
[M+Na]+	254.151528	161.5
[M-H]-	230.155034	160.4
[M+NH4]+	249.196133	177.0
[M+K]+	270.125468	158.5
[M+H-H2O]+	214.159570	150.4
[M+HCOO]-	276.160511	177.8
[M+CH3COO]-	290.176161	196.0
[M+Na-2H]-	252.136976	158.5
[M]+	231.16176142	155.9
[M]-	231.16285858	155.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.