CID 4321628

153895-80-8

Structural Information

Molecular Formula

C₆H₁₀N₂O₃

SMILES

COC(=O)C1CC(=O)NNC1

InChI

InChI=1S/C6H10N2O3/c1-11-6(10)4-2-5(9)8-7-3-4/h4,7H,2-3H2,1H3,(H,8,9)

InChIKey

DLDWDQWZWAVSJB-UHFFFAOYSA-N

Compound name

methyl 6-oxodiazinane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 158.06914 Da
Monoisotopic Mass: -1.1
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]+	159.07642	133.8
[M+Na]+	181.05836	142.6
[M+NH4]+	176.10296	139.4
[M+K]+	197.03230	139.3
[M-H]-	157.06186	131.6
[M+Na-2H]-	179.04381	136.1
[M]+	158.06859	133.8
[M]-	158.06969	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe