CID 4961883

4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C10H9NO2S
SMILES
CC1=CC(=NC2=C1C=C(S2)C(=O)O)C
InChI
InChI=1S/C10H9NO2S/c1-5-3-6(2)11-9-7(5)4-8(14-9)10(12)13/h3-4H,1-2H3,(H,12,13)
InChIKey
OKPHGWXJQSOYAX-UHFFFAOYSA-N
Compound name
4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.0354 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04268 140.8
[M+Na]+ 230.02462 152.9
[M-H]- 206.02812 144.5
[M+NH4]+ 225.06922 162.2
[M+K]+ 245.99856 149.1
[M+H-H2O]+ 190.03266 135.9
[M+HCOO]- 252.03360 158.9
[M+CH3COO]- 266.04925 182.8
[M+Na-2H]- 228.01007 143.5
[M]+ 207.03485 146.1
[M]- 207.03595 146.1
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