CID 3006909

2h-1,2,4-oxadiazin-3(4h)-one, dihydro-2-methyl-5-thioxo-

Structural Information

Molecular Formula

C₄H₆N₂O₂S

SMILES

CN1C(=O)NC(=S)CO1

InChI

InChI=1S/C4H6N2O2S/c1-6-4(7)5-3(9)2-8-6/h2H2,1H3,(H,5,7,9)

InChIKey

QVRMEBPCZSFMSM-UHFFFAOYSA-N

Compound name

2-methyl-5-sulfanylidene-1,2,4-oxadiazinan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 146.015 Da
Monoisotopic Mass: -0.2
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]+	147.022276	126.6
[M+Na]+	169.004218	135.3
[M-H]-	145.007724	127.1
[M+NH4]+	164.048823	144.1
[M+K]+	184.978158	133.8
[M+H-H2O]+	129.012260	120.8
[M+HCOO]-	191.013201	139.2
[M+CH3COO]-	205.028851	168.5
[M+Na-2H]-	166.989666	129.8
[M]+	146.01445142	124.5
[M]-	146.01554858	124.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.