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]+ 213.032836 145.0
[M+Na]+ 235.014778 152.6
[M-H]- 211.018284 146.4
[M+NH4]+ 230.059383 163.5
[M+K]+ 250.988718 149.8
[M+H-H2O]+ 195.022820 138.7
[M+HCOO]- 257.023761 162.6
[M+CH3COO]- 271.039411 182.8
[M+Na-2H]- 233.000226 145.1
[M]+ 212.02501142 146.5
[M]- 212.02610858 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.