CID 3009798

2-[(1,1,5-trioxo-1,2,6-thiadiazin-2-yl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C8H12N2O6S
SMILES
CC(=O)OCCOCN1C=CC(=O)NS1(=O)=O
InChI
InChI=1S/C8H12N2O6S/c1-7(11)16-5-4-15-6-10-3-2-8(12)9-17(10,13)14/h2-3H,4-6H2,1H3,(H,9,12)
InChIKey
JLLIVJDKZGGHMB-UHFFFAOYSA-N
Compound name
2-[(1,1,5-trioxo-1,2,6-thiadiazin-2-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.0416 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04888 150.6
[M+Na]+ 287.03082 158.6
[M-H]- 263.03432 150.1
[M+NH4]+ 282.07542 166.0
[M+K]+ 303.00476 156.8
[M+H-H2O]+ 247.03886 144.6
[M+HCOO]- 309.03980 164.2
[M+CH3COO]- 323.05545 187.2
[M+Na-2H]- 285.01627 153.5
[M]+ 264.04105 154.9
[M]- 264.04215 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.