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

0
Patents

245.08342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09070 151.2
[M+Na]+ 268.07264 157.7
[M-H]- 244.07614 153.2
[M+NH4]+ 263.11724 169.3
[M+K]+ 284.04658 155.7
[M+H-H2O]+ 228.08068 145.5
[M+HCOO]- 290.08162 166.7
[M+CH3COO]- 304.09727 194.4
[M+Na-2H]- 266.05809 153.0
[M]+ 245.08287 150.8
[M]- 245.08397 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.