CID 75741

2580-58-7

Structural Information

Molecular Formula

C₅H₁₁N₃O₂

SMILES

C1NC(=O)NCN1CCO

InChI

InChI=1S/C5H11N3O2/c9-2-1-8-3-6-5(10)7-4-8/h9H,1-4H2,(H2,6,7,10)

InChIKey

XWAUFZXBGKOTGL-UHFFFAOYSA-N

Compound name

5-(2-hydroxyethyl)-1,3,5-triazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 125
Patents: 145.08513 Da
Monoisotopic Mass: -1.3
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]+	146.092406	133.2
[M+Na]+	168.074348	139.2
[M-H]-	144.077854	128.0
[M+NH4]+	163.118953	148.2
[M+K]+	184.048288	136.2
[M+H-H2O]+	128.082390	126.1
[M+HCOO]-	190.083331	146.8
[M+CH3COO]-	204.098981	165.3
[M+Na-2H]-	166.059796	138.0
[M]+	145.08458142	125.8
[M]-	145.08567858	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe