CID 50990524

2-[(prop-2-en-1-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

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 146.7
[M+Na]+ 235.01478 154.4
[M+NH4]+ 230.05938 152.5
[M+K]+ 250.98872 150.8
[M-H]- 211.01828 145.5
[M+Na-2H]- 233.00023 148.8
[M]+ 212.02501 147.3
[M]- 212.02611 147.3
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.