CID 3006908

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

Structural Information

Molecular Formula

C₃H₄N₂O₂S

SMILES

C1C(=S)NC(=O)NO1

InChI

InChI=1S/C3H4N2O2S/c6-3-4-2(8)1-7-5-3/h1H2,(H2,4,5,6,8)

InChIKey

IOZJTSMYDXDENP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 131.99934 Da
Monoisotopic Mass: -0.4
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]+	133.00662	123.2
[M+Na]+	154.98856	131.0
[M-H]-	130.99206	122.0
[M+NH4]+	150.03316	140.1
[M+K]+	170.96250	128.8
[M+H-H2O]+	114.99660	117.5
[M+HCOO]-	176.99754	134.5
[M+CH3COO]-	191.01319	161.8
[M+Na-2H]-	152.97401	127.1
[M]+	131.99879	118.4
[M]-	131.99989	118.4

Literature stripe

literature stripe

Patent stripe

patents stripe