CID 67100260

Thieno[3,2-c]pyridine-7-carboxylic acid

Structural Information

Molecular Formula
C8H5NO2S
SMILES
C1=CSC2=C(C=NC=C21)C(=O)O
InChI
InChI=1S/C8H5NO2S/c10-8(11)6-4-9-3-5-1-2-12-7(5)6/h1-4H,(H,10,11)
InChIKey
NFBJYOHDNFMBHR-UHFFFAOYSA-N
Compound name
thieno[3,2-c]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

179.0041 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.011376 132.4
[M+Na]+ 201.993318 143.7
[M-H]- 177.996824 135.7
[M+NH4]+ 197.037923 154.3
[M+K]+ 217.967258 140.4
[M+H-H2O]+ 162.001360 127.4
[M+HCOO]- 224.002301 151.3
[M+CH3COO]- 238.017951 146.9
[M+Na-2H]- 199.978766 137.4
[M]+ 179.00355142 136.2
[M]- 179.00464858 136.2
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