CID 6514858

N-((acetylmethylcarbamoyl)oxy)thioacetimidic acid methyl ester

Structural Information

Molecular Formula
C7H12N2O3S
SMILES
C/C(=N/OC(=O)N(C)C(=O)C)/SC
InChI
InChI=1S/C7H12N2O3S/c1-5(13-4)8-12-7(11)9(3)6(2)10/h1-4H3/b8-5-
InChIKey
MZCCXHGXCPDCFF-YVMONPNESA-N
Compound name
methyl (1Z)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06415 146.7
[M+Na]+ 227.04609 153.1
[M+NH4]+ 222.09069 152.8
[M+K]+ 243.02003 148.7
[M-H]- 203.04959 145.7
[M+Na-2H]- 225.03154 148.0
[M]+ 204.05632 147.2
[M]- 204.05742 147.2
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.