CID 9570658

5(or 6)-methyl-1,4-dithian-2-one o-((methylamino)carbonyl)oxime

Structural Information

Molecular Formula
C7H12N2O2S2
SMILES
CC1CS/C(=N/OC(=O)NC)/CS1
InChI
InChI=1S/C7H12N2O2S2/c1-5-3-13-6(4-12-5)9-11-7(10)8-2/h5H,3-4H2,1-2H3,(H,8,10)/b9-6+
InChIKey
UDVRVYITEYEGRJ-RMKNXTFCSA-N
Compound name
[(E)-(5-methyl-1,4-dithian-2-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03403 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.041306 144.4
[M+Na]+ 243.023248 149.2
[M-H]- 219.026754 148.1
[M+NH4]+ 238.067853 163.1
[M+K]+ 258.997188 146.6
[M+H-H2O]+ 203.031290 137.8
[M+HCOO]- 265.032231 157.0
[M+CH3COO]- 279.047881 189.6
[M+Na-2H]- 241.008696 145.2
[M]+ 220.03348142 143.5
[M]- 220.03457858 143.5
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.