CID 9577633

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

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]+ 205.06415 145.6
[M+Na]+ 227.04609 152.5
[M+NH4]+ 222.09069 152.8
[M+K]+ 243.02003 148.5
[M-H]- 203.04959 147.9
[M+Na-2H]- 225.03154 147.5
[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.