CID 7131243

871548-26-4

Structural Information

Molecular Formula
C8H12N2O4S
SMILES
CC1=C(C(=NS(=O)(=O)N1)C)CCC(=O)O
InChI
InChI=1S/C8H12N2O4S/c1-5-7(3-4-8(11)12)6(2)10-15(13,14)9-5/h9H,3-4H2,1-2H3,(H,11,12)
InChIKey
HPWIJDMLPLRDLN-UHFFFAOYSA-N
Compound name
3-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05177 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05905 149.6
[M+Na]+ 255.04099 159.6
[M+NH4]+ 250.08559 155.9
[M+K]+ 271.01493 152.6
[M-H]- 231.04449 147.3
[M+Na-2H]- 253.02644 153.1
[M]+ 232.05122 150.6
[M]- 232.05232 150.6
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.