CID 4739101

6-thien-2-ylpyridine-2-carboxylic acid

Structural Information

Molecular Formula
C10H7NO2S
SMILES
C1=CC(=NC(=C1)C(=O)O)C2=CC=CS2
InChI
InChI=1S/C10H7NO2S/c12-10(13)8-4-1-3-7(11-8)9-5-2-6-14-9/h1-6H,(H,12,13)
InChIKey
CHHWBAMXISYONU-UHFFFAOYSA-N
Compound name
6-thiophen-2-ylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

205.01974 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02702 142.0
[M+Na]+ 228.00896 154.6
[M+NH4]+ 223.05356 150.6
[M+K]+ 243.98290 148.5
[M-H]- 204.01246 144.8
[M+Na-2H]- 225.99441 149.3
[M]+ 205.01919 145.0
[M]- 205.02029 145.0
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

patents stripe