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]+	159.076416	133.3
[M+Na]+	181.058358	139.3
[M-H]-	157.061864	131.0
[M+NH4]+	176.102963	149.9
[M+K]+	197.032298	137.6
[M+H-H2O]+	141.066400	126.8
[M+HCOO]-	203.067341	148.9
[M+CH3COO]-	217.082991	169.3
[M+Na-2H]-	179.043806	137.2
[M]+	158.06859142	127.7
[M]-	158.06968858	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe