CID 177800126

5-cyclopropyl-1,1-dioxo-2h-1lambda6,2,6-thiadiazine-3-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O4S
SMILES
C1CC1C2=CC(=NS(=O)(=O)N2)C(=O)O
InChI
InChI=1S/C7H8N2O4S/c10-7(11)6-3-5(4-1-2-4)8-14(12,13)9-6/h3-4,8H,1-2H2,(H,10,11)
InChIKey
ZANZCPPTZDKMEO-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1,1-dioxo-2H-1,2,6-thiadiazine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.02048 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 145.0
[M+Na]+ 239.00970 155.6
[M-H]- 215.01320 147.7
[M+NH4]+ 234.05430 157.0
[M+K]+ 254.98364 151.3
[M+H-H2O]+ 199.01774 139.3
[M+HCOO]- 261.01868 158.5
[M+CH3COO]- 275.03433 180.5
[M+Na-2H]- 236.99515 148.2
[M]+ 216.01993 147.6
[M]- 216.02103 147.6
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.