CID 57487896

2-carbamoyl-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H4N2O3S
SMILES
C1=C(N=C(S1)C(=O)N)C(=O)O
InChI
InChI=1S/C5H4N2O3S/c6-3(8)4-7-2(1-11-4)5(9)10/h1H,(H2,6,8)(H,9,10)
InChIKey
MVGSEXVAOYPIJC-UHFFFAOYSA-N
Compound name
2-carbamoyl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.99426 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00154 133.9
[M+Na]+ 194.98348 141.8
[M+NH4]+ 190.02808 140.3
[M+K]+ 210.95742 139.3
[M-H]- 170.98698 132.9
[M+Na-2H]- 192.96893 136.3
[M]+ 171.99371 134.6
[M]- 171.99481 134.6
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

No patent data available for this compound.