CID 4738309

72078-41-2

Structural Information

Molecular Formula
C9H7NO2S
SMILES
C1=CSC(=C1)C2=CC=C(N2)C(=O)O
InChI
InChI=1S/C9H7NO2S/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h1-5,10H,(H,11,12)
InChIKey
NAQHUJAGQIUAAR-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.01974 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02702 140.0
[M+Na]+ 216.00896 150.9
[M+NH4]+ 211.05356 148.1
[M+K]+ 231.98290 147.5
[M-H]- 192.01246 141.5
[M+Na-2H]- 213.99441 145.7
[M]+ 193.01919 142.2
[M]- 193.02029 142.2
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