CID 9570353

Acetimidic acid, n-((methylcarbamoyl)oxy)thio-, ethyl ester

Structural Information

Molecular Formula
C6H12N2O2S
SMILES
CCS/C(=N/OC(=O)NC)/C
InChI
InChI=1S/C6H12N2O2S/c1-4-11-5(2)8-10-6(9)7-3/h4H2,1-3H3,(H,7,9)/b8-5+
InChIKey
XNOPWKPHVMIYSY-VMPITWQZSA-N
Compound name
ethyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06195 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.069226 138.2
[M+Na]+ 199.051168 144.2
[M-H]- 175.054674 140.0
[M+NH4]+ 194.095773 159.0
[M+K]+ 215.025108 144.2
[M+H-H2O]+ 159.059210 132.1
[M+HCOO]- 221.060151 158.6
[M+CH3COO]- 235.075801 184.4
[M+Na-2H]- 197.036616 140.5
[M]+ 176.06140142 141.6
[M]- 176.06249858 141.6
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.