CID 74616

1852-18-2

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

C1C(CNC(=O)N1)O

InChI

InChI=1S/C4H8N2O2/c7-3-1-5-4(8)6-2-3/h3,7H,1-2H2,(H2,5,6,8)

InChIKey

PZSCGIVZIUKDAJ-UHFFFAOYSA-N

Compound name

5-hydroxy-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 116.05858 Da
Monoisotopic Mass: -1.5
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]+	117.06586	122.9
[M+Na]+	139.04780	132.4
[M+NH4]+	134.09240	129.6
[M+K]+	155.02174	128.6
[M-H]-	115.05130	121.4
[M+Na-2H]-	137.03325	126.1
[M]+	116.05803	123.3
[M]-	116.05913	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe