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]+ 196.00629 137.1
[M+Na]+ 217.98823 148.4
[M-H]- 193.99173 143.9
[M+NH4]+ 213.03283 157.6
[M+K]+ 233.96217 147.2
[M+H-H2O]+ 177.99627 132.1
[M+HCOO]- 239.99721 157.9
[M+CH3COO]- 254.01286 152.1
[M+Na-2H]- 215.97368 139.5
[M]+ 194.99846 142.3
[M]- 194.99956 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.