CID 9570654

5-methyl-1,3-dithiolan-4-one o-((methylamino)carbonyl)oxime

Structural Information

Molecular Formula
C6H10N2O2S2
SMILES
CC1/C(=N\OC(=O)NC)/SCS1
InChI
InChI=1S/C6H10N2O2S2/c1-4-5(12-3-11-4)8-10-6(9)7-2/h4H,3H2,1-2H3,(H,7,9)/b8-5+
InChIKey
XBGUTAISSLTGIB-VMPITWQZSA-N
Compound name
[(E)-(5-methyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.01837 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.025646 142.7
[M+Na]+ 229.007588 149.3
[M-H]- 205.011094 147.2
[M+NH4]+ 224.052193 164.0
[M+K]+ 244.981528 147.2
[M+H-H2O]+ 189.015630 136.7
[M+HCOO]- 251.016571 157.7
[M+CH3COO]- 265.032221 186.3
[M+Na-2H]- 226.993036 142.5
[M]+ 206.01782142 143.8
[M]- 206.01891858 143.8
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.