CID 542540

4-amino-1,2-thiazole-3-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C4H4N2O2S
SMILES
C1=C(C(=NS1)C(=O)O)N
InChI
InChI=1S/C4H4N2O2S/c5-2-1-9-6-3(2)4(7)8/h1H,5H2,(H,7,8)
InChIKey
KRPHJQAXNPHVRE-UHFFFAOYSA-N
Compound name
4-amino-1,2-thiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

143.99934 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.006616 125.2
[M+Na]+ 166.988558 134.5
[M-H]- 142.992064 126.7
[M+NH4]+ 162.033163 146.5
[M+K]+ 182.962498 132.4
[M+H-H2O]+ 126.996600 119.7
[M+HCOO]- 188.997541 144.0
[M+CH3COO]- 203.013191 169.5
[M+Na-2H]- 164.974006 127.3
[M]+ 143.99879142 125.0
[M]- 143.99988858 125.0
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