CID 5490319

Anti-4-((methylcarbamoyl)oximino)-2-methyl-1,3-oxathiolane

Structural Information

Molecular Formula
C6H10N2O3S
SMILES
CC1OC/C(=N\OC(=O)NC)/S1
InChI
InChI=1S/C6H10N2O3S/c1-4-10-3-5(12-4)8-11-6(9)7-2/h4H,3H2,1-2H3,(H,7,9)/b8-5+
InChIKey
BHQUYFUCFMPJTA-VMPITWQZSA-N
Compound name
[(E)-(2-methyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.04121 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04849 139.5
[M+Na]+ 213.03043 146.2
[M-H]- 189.03393 145.2
[M+NH4]+ 208.07503 160.2
[M+K]+ 229.00437 146.9
[M+H-H2O]+ 173.03847 133.6
[M+HCOO]- 235.03941 160.1
[M+CH3COO]- 249.05506 183.6
[M+Na-2H]- 211.01588 142.3
[M]+ 190.04066 141.6
[M]- 190.04176 141.6
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.