CID 46941890

1243101-05-4

Structural Information

Molecular Formula
C9H7NO3S
SMILES
C1=CN(C(=O)C2=C1SC=C2)CC(=O)O
InChI
InChI=1S/C9H7NO3S/c11-8(12)5-10-3-1-7-6(9(10)13)2-4-14-7/h1-4H,5H2,(H,11,12)
InChIKey
XFDQPDDFFGWKQR-UHFFFAOYSA-N
Compound name
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.01466 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02194 141.3
[M+Na]+ 232.00388 153.8
[M+NH4]+ 227.04848 149.3
[M+K]+ 247.97782 148.3
[M-H]- 208.00738 141.9
[M+Na-2H]- 229.98933 146.1
[M]+ 209.01411 143.6
[M]- 209.01521 143.6
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.