CID 3059608

2-((o-(n-methyl-n-(tert-butylthiosulfenyl)carbamoyl)oximino))-1,3-dithiolane

Structural Information

Molecular Formula
C9H16N2O2S4
SMILES
CC(C)(C)SSN(C)C(=O)ON=C1SCCS1
InChI
InChI=1S/C9H16N2O2S4/c1-9(2,3)16-17-11(4)8(12)13-10-7-14-5-6-15-7/h5-6H2,1-4H3
InChIKey
VJMCDMPLTRMFMA-UHFFFAOYSA-N
Compound name
(1,3-dithiolan-2-ylideneamino) N-(tert-butyldisulfanyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

312.00946 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.01674 174.6
[M+Na]+ 334.99868 178.9
[M-H]- 311.00218 176.9
[M+NH4]+ 330.04328 190.5
[M+K]+ 350.97262 173.1
[M+H-H2O]+ 295.00672 167.5
[M+HCOO]- 357.00766 175.0
[M+CH3COO]- 371.02331 207.8
[M+Na-2H]- 332.98413 173.5
[M]+ 312.00891 174.0
[M]- 312.01001 174.0
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

patents stripe