CID 9570628

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

Structural Information

Molecular Formula
C6H10N2O3S
SMILES
CNC(=O)O/N=C/1\COCCS1
InChI
InChI=1S/C6H10N2O3S/c1-7-6(9)11-8-5-4-10-2-3-12-5/h2-4H2,1H3,(H,7,9)/b8-5+
InChIKey
NTSHLFYHHPXFKD-VMPITWQZSA-N
Compound name
[(E)-1,4-oxathian-3-ylideneamino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.04121 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04849 138.2
[M+Na]+ 213.03043 142.8
[M-H]- 189.03393 143.1
[M+NH4]+ 208.07503 156.6
[M+K]+ 229.00437 143.6
[M+H-H2O]+ 173.03847 131.5
[M+HCOO]- 235.03941 156.7
[M+CH3COO]- 249.05506 182.8
[M+Na-2H]- 211.01588 142.9
[M]+ 190.04066 137.7
[M]- 190.04176 137.7
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.