CID 9577633

Syn-2-ethyl-1,3-oxathiolan-4-one o-((methylamino)carbonyl)oxime

Structural Information

Molecular Formula
C7H12N2O3S
SMILES
CCC1OC/C(=N/OC(=O)NC)/S1
InChI
InChI=1S/C7H12N2O3S/c1-3-6-11-4-5(13-6)9-12-7(10)8-2/h6H,3-4H2,1-2H3,(H,8,10)/b9-5-
InChIKey
NSSTXSUIKRFJRH-UITAMQMPSA-N
Compound name
[(Z)-(2-ethyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05687 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.064146 144.0
[M+Na]+ 227.046088 150.2
[M-H]- 203.049594 149.5
[M+NH4]+ 222.090693 164.1
[M+K]+ 243.020028 150.8
[M+H-H2O]+ 187.054130 137.9
[M+HCOO]- 249.055071 164.3
[M+CH3COO]- 263.070721 186.6
[M+Na-2H]- 225.031536 146.3
[M]+ 204.05632142 146.5
[M]- 204.05741858 146.5
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.