CID 4961254

4h-thieno[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C7H5NO2S
SMILES
C1=CSC2=C1NC(=C2)C(=O)O
InChI
InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
InChIKey
PMHDSACGRKBACK-UHFFFAOYSA-N
Compound name
4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

377
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 143.2
[M-H]- 165.99682 134.2
[M+NH4]+ 185.03792 155.4
[M+K]+ 205.96726 140.0
[M+H-H2O]+ 150.00136 127.9
[M+HCOO]- 212.00230 150.4
[M+CH3COO]- 226.01795 146.3
[M+Na-2H]- 187.97877 134.4
[M]+ 167.00355 134.5
[M]- 167.00465 134.5
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