CID 132989236

5-bpdi

Structural Information

Molecular Formula

C₁₉H₂₇NO

SMILES

CCCCC(C(=O)C1=CC2=C(CCC2)C=C1)N3CCCC3

InChI

InChI=1S/C19H27NO/c1-2-3-9-18(20-12-4-5-13-20)19(21)17-11-10-15-7-6-8-16(15)14-17/h10-11,14,18H,2-9,12-13H2,1H3

InChIKey

WETQQOQCDBNIKE-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 285.20926 Da
Monoisotopic Mass: 4.8
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]+	286.216536	174.6
[M+Na]+	308.198478	177.6
[M-H]-	284.201984	179.4
[M+NH4]+	303.243083	192.8
[M+K]+	324.172418	173.7
[M+H-H2O]+	268.206520	166.8
[M+HCOO]-	330.207461	191.3
[M+CH3COO]-	344.223111	202.3
[M+Na-2H]-	306.183926	171.2
[M]+	285.20871142	171.7
[M]-	285.20980858	171.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.