CID 13424

878-52-4

Structural Information

Molecular Formula

C₈H₁₂N₂O₃

SMILES

C1CCC2(C1)C(=O)N(C(=O)N2)CO

InChI

InChI=1S/C8H12N2O3/c11-5-10-6(12)8(9-7(10)13)3-1-2-4-8/h11H,1-5H2,(H,9,13)

InChIKey

DAYLEOSRTXSJFG-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.0848 Da
Monoisotopic Mass: 0.2
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]+	185.09208	139.7
[M+Na]+	207.07402	147.5
[M-H]-	183.07752	140.3
[M+NH4]+	202.11862	161.2
[M+K]+	223.04796	144.8
[M+H-H2O]+	167.08206	134.2
[M+HCOO]-	229.08300	157.1
[M+CH3COO]-	243.09865	172.7
[M+Na-2H]-	205.05947	141.4
[M]+	184.08425	134.6
[M]-	184.08535	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe