CID 22124376

78093-06-8

Structural Information

Molecular Formula
C9H13N3O4S
SMILES
CC(C)(C)OC(=O)NC1=NC(=NS1)CC(=O)O
InChI
InChI=1S/C9H13N3O4S/c1-9(2,3)16-8(15)11-7-10-5(12-17-7)4-6(13)14/h4H2,1-3H3,(H,13,14)(H,10,11,12,15)
InChIKey
JEGJZCSVSXTSQO-UHFFFAOYSA-N
Compound name
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

259.06268 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06996 158.5
[M+Na]+ 282.05190 164.9
[M+NH4]+ 277.09650 162.7
[M+K]+ 298.02584 163.3
[M-H]- 258.05540 155.5
[M+Na-2H]- 280.03735 159.5
[M]+ 259.06213 158.4
[M]- 259.06323 158.4
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

patents stripe