CID 135415574

2h-1,2,4-oxadiazin-3(6h)-one, 5-(methylamino)-

Structural Information

Molecular Formula

C₄H₇N₃O₂

SMILES

CN=C1CONC(=O)N1

InChI

InChI=1S/C4H7N3O2/c1-5-3-2-9-7-4(8)6-3/h2H2,1H3,(H2,5,6,7,8)

InChIKey

CKSPCAPUMCSPGP-UHFFFAOYSA-N

Compound name

5-methylimino-1,2,4-oxadiazinan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 129.05383 Da
Monoisotopic Mass: -0.8
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]+	130.06111	125.4
[M+Na]+	152.04305	132.2
[M-H]-	128.04655	125.3
[M+NH4]+	147.08765	142.3
[M+K]+	168.01699	131.6
[M+H-H2O]+	112.05109	118.5
[M+HCOO]-	174.05203	144.0
[M+CH3COO]-	188.06768	167.7
[M+Na-2H]-	150.02850	133.0
[M]+	129.05328	119.9
[M]-	129.05438	119.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.