CID 11837347

3-(methylsulfanyl)imidazo[1,5-a]pyridine-1-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
CSC1=NC(=C2N1C=CC=C2)C(=O)O
InChI
InChI=1S/C9H8N2O2S/c1-14-9-10-7(8(12)13)6-4-2-3-5-11(6)9/h2-5H,1H3,(H,12,13)
InChIKey
YDPHJPDQTIHHKC-UHFFFAOYSA-N
Compound name
3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03065 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 142.4
[M+Na]+ 231.01987 155.1
[M+NH4]+ 226.06447 150.4
[M+K]+ 246.99381 149.4
[M-H]- 207.02337 142.8
[M+Na-2H]- 229.00532 147.3
[M]+ 208.03010 144.7
[M]- 208.03120 144.7
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.