CID 18776246

3-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}propanenitrile

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C1CCC2(C1)C(=O)N(C(=O)N2)CCC#N

InChI

InChI=1S/C10H13N3O2/c11-6-3-7-13-8(14)10(12-9(13)15)4-1-2-5-10/h1-5,7H2,(H,12,15)

InChIKey

PGESNTIBOXIKOR-UHFFFAOYSA-N

Compound name

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.10077 Da
Monoisotopic Mass: -0.1
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]+	208.108046	143.9
[M+Na]+	230.089988	153.7
[M-H]-	206.093494	144.9
[M+NH4]+	225.134593	162.9
[M+K]+	246.063928	148.5
[M+H-H2O]+	190.098030	130.7
[M+HCOO]-	252.098971	158.9
[M+CH3COO]-	266.114621	192.6
[M+Na-2H]-	228.075436	145.3
[M]+	207.10022142	135.2
[M]-	207.10131858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.