CID 9577636

Syn-5-methyl-1,3-oxathiolan-4-one o-((ethylamino)carbonyl)oxime

Structural Information

Molecular Formula
C7H12N2O3S
SMILES
CCNC(=O)O/N=C\1/C(OCS1)C
InChI
InChI=1S/C7H12N2O3S/c1-3-8-7(10)12-9-6-5(2)11-4-13-6/h5H,3-4H2,1-2H3,(H,8,10)/b9-6-
InChIKey
FFQZPNGFUKCNIT-TWGQIWQCSA-N
Compound name
[(Z)-(5-methyl-1,3-oxathiolan-4-ylidene)amino] N-ethylcarbamate
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 144.0
[M+Na]+ 227.04609 150.2
[M-H]- 203.04959 149.5
[M+NH4]+ 222.09069 164.1
[M+K]+ 243.02003 150.8
[M+H-H2O]+ 187.05413 137.9
[M+HCOO]- 249.05507 164.3
[M+CH3COO]- 263.07072 186.6
[M+Na-2H]- 225.03154 146.3
[M]+ 204.05632 146.5
[M]- 204.05742 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.