CID 6514865

N-((acetylmethylcarbamoyl)oxy)thioacetimidic acid 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]+ 219.07979 149.6
[M+Na]+ 241.06173 154.9
[M-H]- 217.06523 152.6
[M+NH4]+ 236.10633 169.2
[M+K]+ 257.03567 156.1
[M+H-H2O]+ 201.06977 142.9
[M+HCOO]- 263.07071 169.2
[M+CH3COO]- 277.08636 195.3
[M+Na-2H]- 239.04718 149.3
[M]+ 218.07196 155.0
[M]- 218.07306 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.