CID 24695276

3,9-diazaspiro[5.5]undecane-2,4-dione hydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

C1CNCCC12CC(=O)NC(=O)C2

InChI

InChI=1S/C9H14N2O2/c12-7-5-9(6-8(13)11-7)1-3-10-4-2-9/h10H,1-6H2,(H,11,12,13)

InChIKey

ASZZHBXPMOVHCU-UHFFFAOYSA-N

Compound name

3,9-diazaspiro[5.5]undecane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2804
Patents: 182.10553 Da
Monoisotopic Mass: -0.9
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]+	183.112806	142.2
[M+Na]+	205.094748	147.1
[M-H]-	181.098254	141.4
[M+NH4]+	200.139353	159.8
[M+K]+	221.068688	143.5
[M+H-H2O]+	165.102790	135.2
[M+HCOO]-	227.103731	154.6
[M+CH3COO]-	241.119381	172.9
[M+Na-2H]-	203.080196	146.8
[M]+	182.10498142	131.2
[M]-	182.10607858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe