CID 6514865

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

Structural Information

Molecular Formula
C8H14N2O3S
SMILES
CCS/C(=N\OC(=O)N(C)C(=O)C)/C
InChI
InChI=1S/C8H14N2O3S/c1-5-14-6(2)9-13-8(12)10(4)7(3)11/h5H2,1-4H3/b9-6-
InChIKey
GQRQHDUZRILIGF-TWGQIWQCSA-N
Compound name
ethyl (1Z)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.07251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.079786 149.6
[M+Na]+ 241.061728 154.9
[M-H]- 217.065234 152.6
[M+NH4]+ 236.106333 169.2
[M+K]+ 257.035668 156.1
[M+H-H2O]+ 201.069770 142.9
[M+HCOO]- 263.070711 169.2
[M+CH3COO]- 277.086361 195.3
[M+Na-2H]- 239.047176 149.3
[M]+ 218.07196142 155.0
[M]- 218.07305858 155.0
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

No patent data available for this compound.