CID 9588167

1,3-dithiolane-2,4-dione, 5,5-dimethyl-, 2-(dimethyhydrazone), 4-(o-((methylamino)carbonyl)oxime)

Structural Information

Molecular Formula
C9H16N4O2S2
SMILES
CC1(/C(=N\OC(=O)NC)/S/C(=N\N(C)C)/S1)C
InChI
InChI=1S/C9H16N4O2S2/c1-9(2)6(12-15-7(14)10-3)16-8(17-9)11-13(4)5/h1-5H3,(H,10,14)/b11-8+,12-6+
InChIKey
VSLVNJZVFZGJAD-KPEOIQKJSA-N
Compound name
[(E)-[(2Z)-2-(dimethylhydrazinylidene)-5,5-dimethyl-1,3-dithiolan-4-ylidene]amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.07147 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07875 158.3
[M+Na]+ 299.06069 163.8
[M-H]- 275.06419 164.9
[M+NH4]+ 294.10529 179.2
[M+K]+ 315.03463 162.7
[M+H-H2O]+ 259.06873 151.8
[M+HCOO]- 321.06967 175.8
[M+CH3COO]- 335.08532 210.1
[M+Na-2H]- 297.04614 159.6
[M]+ 276.07092 161.7
[M]- 276.07202 161.7
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.