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 145.0
[M+Na]+ 227.04609 150.7
[M-H]- 203.04959 148.3
[M+NH4]+ 222.09069 165.1
[M+K]+ 243.02003 152.2
[M+H-H2O]+ 187.05413 138.5
[M+HCOO]- 249.05507 165.0
[M+CH3COO]- 263.07072 192.3
[M+Na-2H]- 225.03154 145.2
[M]+ 204.05632 150.1
[M]- 204.05742 150.1
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.