CID 98386

67196-34-3

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃

SMILES

CCCC1CCCCC12C(=O)NC(=O)NC2=O

InChI

InChI=1S/C12H18N2O3/c1-2-5-8-6-3-4-7-12(8)9(15)13-11(17)14-10(12)16/h8H,2-7H2,1H3,(H2,13,14,15,16,17)

InChIKey

BCQVVBFPFXLDSM-UHFFFAOYSA-N

Compound name

11-propyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 238.13174 Da
Monoisotopic Mass: 2.3
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]+	239.139016	156.0
[M+Na]+	261.120958	161.6
[M-H]-	237.124464	155.3
[M+NH4]+	256.165563	171.8
[M+K]+	277.094898	157.4
[M+H-H2O]+	221.129000	149.1
[M+HCOO]-	283.129941	167.8
[M+CH3COO]-	297.145591	185.8
[M+Na-2H]-	259.106406	157.9
[M]+	238.13119142	147.7
[M]-	238.13228858	147.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.