CID 12867748

1-methyl-1,3-diazinan-2-one hydrochloride

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

CN1CCCNC1=O

InChI

InChI=1S/C5H10N2O/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)

InChIKey

COYPZADTXISTSJ-UHFFFAOYSA-N

Compound name

1-methyl-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 432
Patents: 114.079315 Da
Monoisotopic Mass: -0.3
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]+	115.08659	123.5
[M+Na]+	137.06853	134.5
[M+NH4]+	132.11314	131.3
[M+K]+	153.04247	129.2
[M-H]-	113.07204	123.5
[M+Na-2H]-	135.05398	128.2
[M]+	114.07877	124.8
[M]-	114.07986	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe