CID 9588005

3-methyl-2,5-thiomorpholinedione 2-(o-((methylamino)carbonyl)oxime)

Structural Information

Molecular Formula
C7H11N3O3S
SMILES
CC1/C(=N\OC(=O)NC)/SCC(=O)N1
InChI
InChI=1S/C7H11N3O3S/c1-4-6(10-13-7(12)8-2)14-3-5(11)9-4/h4H,3H2,1-2H3,(H,8,12)(H,9,11)/b10-6+
InChIKey
NCLOUZMSCWUMGM-UXBLZVDNSA-N
Compound name
[(E)-(3-methyl-5-oxothiomorpholin-2-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.05211 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.05939 144.9
[M+Na]+ 240.04133 150.6
[M-H]- 216.04483 146.7
[M+NH4]+ 235.08593 161.8
[M+K]+ 256.01527 148.6
[M+H-H2O]+ 200.04937 138.0
[M+HCOO]- 262.05031 161.2
[M+CH3COO]- 276.06596 187.6
[M+Na-2H]- 238.02678 146.5
[M]+ 217.05156 142.9
[M]- 217.05266 142.9
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.