CID 21989408

91815-41-7

Structural Information

Molecular Formula

C₅H₁₀N₂O₂

SMILES

CC1CNC(=O)NC1O

InChI

InChI=1S/C5H10N2O2/c1-3-2-6-5(9)7-4(3)8/h3-4,8H,2H2,1H3,(H2,6,7,9)

InChIKey

IBEUEXKFVGJSDL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 158
Patents: 130.07423 Da
Monoisotopic Mass: -0.6
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]+	131.08151	128.2
[M+Na]+	153.06345	135.1
[M-H]-	129.06695	124.9
[M+NH4]+	148.10805	145.6
[M+K]+	169.03739	132.3
[M+H-H2O]+	113.07149	122.4
[M+HCOO]-	175.07243	143.1
[M+CH3COO]-	189.08808	163.5
[M+Na-2H]-	151.04890	132.4
[M]+	130.07368	120.7
[M]-	130.07478	120.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe