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]+ 144.02262 125.2
[M+Na]+ 166.00456 134.2
[M-H]- 142.00806 127.5
[M+NH4]+ 161.04916 146.7
[M+K]+ 181.97850 132.0
[M+H-H2O]+ 126.01260 119.0
[M+HCOO]- 188.01354 145.6
[M+CH3COO]- 202.02919 174.3
[M+Na-2H]- 163.99001 127.2
[M]+ 143.01479 123.7
[M]- 143.01589 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