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]+ 207.02565 142.7
[M+Na]+ 229.00759 149.3
[M-H]- 205.01109 147.2
[M+NH4]+ 224.05219 164.0
[M+K]+ 244.98153 147.2
[M+H-H2O]+ 189.01563 136.7
[M+HCOO]- 251.01657 157.7
[M+CH3COO]- 265.03222 186.3
[M+Na-2H]- 226.99304 142.5
[M]+ 206.01782 143.8
[M]- 206.01892 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.