CID 12830

710-86-1

Structural Information

Molecular Formula

C₉H₁₄N₂O₃

SMILES

C1CCC2(CC1)C(=O)N(C(=O)N2)CO

InChI

InChI=1S/C9H14N2O3/c12-6-11-7(13)9(10-8(11)14)4-2-1-3-5-9/h12H,1-6H2,(H,10,14)

InChIKey

FGVDKIGUEQOVMW-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.10045 Da
Monoisotopic Mass: 0.7
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]+	199.107726	144.1
[M+Na]+	221.089668	150.6
[M-H]-	197.093174	143.9
[M+NH4]+	216.134273	163.2
[M+K]+	237.063608	147.6
[M+H-H2O]+	181.097710	137.8
[M+HCOO]-	243.098651	158.9
[M+CH3COO]-	257.114301	175.7
[M+Na-2H]-	219.075116	146.6
[M]+	198.09990142	137.1
[M]-	198.10099858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe