CID 6453020

1,3-oxathiolan-4-one, o-((methylamino)carbonyl)oxime, syn-

Structural Information

Molecular Formula
C5H8N2O3S
SMILES
CNC(=O)O/N=C\1/COCS1
InChI
InChI=1S/C5H8N2O3S/c1-6-5(8)10-7-4-2-9-3-11-4/h2-3H2,1H3,(H,6,8)/b7-4-
InChIKey
ZKYYGMLZFIEKFZ-DAXSKMNVSA-N
Compound name
[(Z)-1,3-oxathiolan-4-ylideneamino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02556 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03284 135.2
[M+Na]+ 199.01478 141.3
[M-H]- 175.01828 140.7
[M+NH4]+ 194.05938 156.1
[M+K]+ 214.98872 142.4
[M+H-H2O]+ 159.02282 129.1
[M+HCOO]- 221.02376 156.1
[M+CH3COO]- 235.03941 179.4
[M+Na-2H]- 197.00023 139.0
[M]+ 176.02501 136.5
[M]- 176.02611 136.5
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.