CID 16227213

52499-04-4

Structural Information

Molecular Formula
C4H5N3OS
SMILES
C1=C(SC(=N1)N)C(=O)N
InChI
InChI=1S/C4H5N3OS/c5-3(8)2-1-7-4(6)9-2/h1H,(H2,5,8)(H2,6,7)
InChIKey
NQXGKSIKPATTNC-UHFFFAOYSA-N
Compound name
2-amino-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

143.01534 Da
Monoisotopic Mass

-0.2
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

literature stripe

Patent stripe

patents stripe