CID 7131452

872107-98-7

Structural Information

Molecular Formula
C7H10N2O4S
SMILES
CC1=C(C(=NS(=O)(=O)N1)C)CC(=O)O
InChI
InChI=1S/C7H10N2O4S/c1-4-6(3-7(10)11)5(2)9-14(12,13)8-4/h8H,3H2,1-2H3,(H,10,11)
InChIKey
QMHXEUBSYCYPHI-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1,1-dioxo-2H-1,2,6-thiadiazin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03613 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.043406 140.5
[M+Na]+ 241.025348 150.5
[M-H]- 217.028854 139.6
[M+NH4]+ 236.069953 157.7
[M+K]+ 256.999288 147.3
[M+H-H2O]+ 201.033390 135.5
[M+HCOO]- 263.034331 153.6
[M+CH3COO]- 277.049981 179.7
[M+Na-2H]- 239.010796 143.1
[M]+ 218.03558142 142.3
[M]- 218.03667858 142.3
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.