CID 43156440

2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H5NO3S
SMILES
C1=COC(=C1)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C8H5NO3S/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h1-4H,(H,10,11)
InChIKey
PKXIBGCQUJMWRQ-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.99901 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.006286 137.1
[M+Na]+ 217.988228 148.4
[M-H]- 193.991734 143.9
[M+NH4]+ 213.032833 157.6
[M+K]+ 233.962168 147.2
[M+H-H2O]+ 177.996270 132.1
[M+HCOO]- 239.997211 157.9
[M+CH3COO]- 254.012861 152.1
[M+Na-2H]- 215.973676 139.5
[M]+ 194.99846142 142.3
[M]- 194.99955858 142.3
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.