CID 6514858

Acetimidic acid, n-((acetylmethylcarbamoyl)oxy)thio-, 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]+ 205.064146 145.0
[M+Na]+ 227.046088 150.7
[M-H]- 203.049594 148.3
[M+NH4]+ 222.090693 165.1
[M+K]+ 243.020028 152.2
[M+H-H2O]+ 187.054130 138.5
[M+HCOO]- 249.055071 165.0
[M+CH3COO]- 263.070721 192.3
[M+Na-2H]- 225.031536 145.2
[M]+ 204.05632142 150.1
[M]- 204.05741858 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.