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

14
Patents

171.99426 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.001536 132.5
[M+Na]+ 194.983478 141.0
[M-H]- 170.986984 133.8
[M+NH4]+ 190.028083 152.3
[M+K]+ 210.957418 139.1
[M+H-H2O]+ 154.991520 126.7
[M+HCOO]- 216.992461 150.2
[M+CH3COO]- 231.008111 174.7
[M+Na-2H]- 192.968926 133.0
[M]+ 171.99371142 132.7
[M]- 171.99480858 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

patents stripe