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 132.5
[M+Na]+ 194.98348 141.0
[M-H]- 170.98698 133.8
[M+NH4]+ 190.02808 152.3
[M+K]+ 210.95742 139.1
[M+H-H2O]+ 154.99152 126.7
[M+HCOO]- 216.99246 150.2
[M+CH3COO]- 231.00811 174.7
[M+Na-2H]- 192.96893 133.0
[M]+ 171.99371 132.7
[M]- 171.99481 132.7
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

No patent data available for this compound.