CID 9570651

1,4-dithian-2-one, o-((methylamino)carbonyl)oxime, 4-oxide

Structural Information

Molecular Formula
C6H10N2O3S2
SMILES
CNC(=O)O/N=C/1\CS(=O)CCS1
InChI
InChI=1S/C6H10N2O3S2/c1-7-6(9)11-8-5-4-13(10)3-2-12-5/h2-4H2,1H3,(H,7,9)/b8-5+
InChIKey
WMJAOBLEVKPJKZ-VMPITWQZSA-N
Compound name
[(E)-(4-oxo-1,4-dithian-2-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.01329 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02057 143.3
[M+Na]+ 245.00251 148.5
[M-H]- 221.00601 147.1
[M+NH4]+ 240.04711 161.7
[M+K]+ 260.97645 145.9
[M+H-H2O]+ 205.01055 136.7
[M+HCOO]- 267.01149 156.5
[M+CH3COO]- 281.02714 188.0
[M+Na-2H]- 242.98796 144.7
[M]+ 222.01274 142.7
[M]- 222.01384 142.7
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.