CID 22457612

4h-thieno[3,2-b]pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C7H5NO2S
SMILES
C1=CNC2=C1SC(=C2)C(=O)O
InChI
InChI=1S/C7H5NO2S/c9-7(10)6-3-4-5(11-6)1-2-8-4/h1-3,8H,(H,9,10)
InChIKey
IULABJQOVJBYGK-UHFFFAOYSA-N
Compound name
4H-thieno[3,2-b]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

167.0041 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.01138 132.0
[M+Na]+ 189.99332 142.4
[M+NH4]+ 185.03792 140.5
[M+K]+ 205.96726 139.4
[M-H]- 165.99682 132.0
[M+Na-2H]- 187.97877 135.6
[M]+ 167.00355 133.7
[M]- 167.00465 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe