CID 6504708

Syn-5,5-dimethyl-1,3-oxathiolan-4-one o-((methylamino)carbonyl)oxime

Structural Information

Molecular Formula
C7H12N2O3S
SMILES
CC1(/C(=N\OC(=O)NC)/SCO1)C
InChI
InChI=1S/C7H12N2O3S/c1-7(2)5(13-4-11-7)9-12-6(10)8-3/h4H2,1-3H3,(H,8,10)/b9-5+
InChIKey
JSHNTSCXNBASQJ-WEVVVXLNSA-N
Compound name
[(E)-(5,5-dimethyl-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

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06415 141.6
[M+Na]+ 227.04609 148.6
[M-H]- 203.04959 147.3
[M+NH4]+ 222.09069 163.7
[M+K]+ 243.02003 149.4
[M+H-H2O]+ 187.05413 136.8
[M+HCOO]- 249.05507 161.9
[M+CH3COO]- 263.07072 186.2
[M+Na-2H]- 225.03154 145.6
[M]+ 204.05632 144.5
[M]- 204.05742 144.5
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.