CID 50990524

1258650-46-2

Structural Information

Molecular Formula
C8H8N2O3S
SMILES
C=CCNC(=O)C1=NC(=CS1)C(=O)O
InChI
InChI=1S/C8H8N2O3S/c1-2-3-9-6(11)7-10-5(4-14-7)8(12)13/h2,4H,1,3H2,(H,9,11)(H,12,13)
InChIKey
XHFTZXACCMHJII-UHFFFAOYSA-N
Compound name
2-(prop-2-enylcarbamoyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02556 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03284 145.0
[M+Na]+ 235.01478 152.6
[M-H]- 211.01828 146.4
[M+NH4]+ 230.05938 163.5
[M+K]+ 250.98872 149.8
[M+H-H2O]+ 195.02282 138.7
[M+HCOO]- 257.02376 162.6
[M+CH3COO]- 271.03941 182.8
[M+Na-2H]- 233.00023 145.1
[M]+ 212.02501 146.5
[M]- 212.02611 146.5
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.