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]+ 205.064146 141.6
[M+Na]+ 227.046088 148.6
[M-H]- 203.049594 147.3
[M+NH4]+ 222.090693 163.7
[M+K]+ 243.020028 149.4
[M+H-H2O]+ 187.054130 136.8
[M+HCOO]- 249.055071 161.9
[M+CH3COO]- 263.070721 186.2
[M+Na-2H]- 225.031536 145.6
[M]+ 204.05632142 144.5
[M]- 204.05741858 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.