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 154.6
[M+Na]+ 268.07264 161.8
[M+NH4]+ 263.11724 161.7
[M+K]+ 284.04658 154.5
[M-H]- 244.07614 154.6
[M+Na-2H]- 266.05809 157.8
[M]+ 245.08287 155.6
[M]- 245.08397 155.6
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.