CID 9588004

2-(o-(methylcarbamoyl)oximino)-3,3,6-trimethyltetrahydro-1,4-thiazin-5-one

Structural Information

Molecular Formula

C₉H₁₅N₃O₃S

SMILES

CC1C(=O)NC(/C(=N\OC(=O)NC)/S1)(C)C

InChI

InChI=1S/C9H15N3O3S/c1-5-6(13)11-9(2,3)7(16-5)12-15-8(14)10-4/h5H,1-4H3,(H,10,14)(H,11,13)/b12-7+

InChIKey

HCATVRLRURSXDN-KPKJPENVSA-N

Compound name

[(E)-(3,3,6-trimethyl-5-oxothiomorpholin-2-ylidene)amino] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 245.08342 Da
Monoisotopic Mass: 1.0
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]+	246.090696	151.2
[M+Na]+	268.072638	157.7
[M-H]-	244.076144	153.2
[M+NH4]+	263.117243	169.3
[M+K]+	284.046578	155.7
[M+H-H2O]+	228.080680	145.5
[M+HCOO]-	290.081621	166.7
[M+CH3COO]-	304.097271	194.4
[M+Na-2H]-	266.058086	153.0
[M]+	245.08287142	150.8
[M]-	245.08396858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe