CID 58332187

5-aminoisothiazole-4-carboxamide

Structural Information

Molecular Formula
C4H5N3OS
SMILES
C1=NSC(=C1C(=O)N)N
InChI
InChI=1S/C4H5N3OS/c5-3(8)2-1-7-9-4(2)6/h1H,6H2,(H2,5,8)
InChIKey
RLGGZUAKRFPJGV-UHFFFAOYSA-N
Compound name
5-amino-1,2-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

143.01534 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.022616 125.2
[M+Na]+ 166.004558 134.2
[M-H]- 142.008064 127.5
[M+NH4]+ 161.049163 146.7
[M+K]+ 181.978498 132.0
[M+H-H2O]+ 126.012600 119.0
[M+HCOO]- 188.013541 145.6
[M+CH3COO]- 202.029191 174.3
[M+Na-2H]- 163.990006 127.2
[M]+ 143.01479142 123.7
[M]- 143.01588858 123.7
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