CID 2050101

5-(1h-pyrrol-1-yl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CN(C=C1)C2=CN=CC(=C2)C(=O)O
InChI
InChI=1S/C10H8N2O2/c13-10(14)8-5-9(7-11-6-8)12-3-1-2-4-12/h1-7H,(H,13,14)
InChIKey
MBHJQDUXANKYCO-UHFFFAOYSA-N
Compound name
5-pyrrol-1-ylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

188.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.065856 137.7
[M+Na]+ 211.047798 146.4
[M-H]- 187.051304 141.0
[M+NH4]+ 206.092403 155.5
[M+K]+ 227.021738 143.4
[M+H-H2O]+ 171.055840 130.0
[M+HCOO]- 233.056781 159.7
[M+CH3COO]- 247.072431 177.9
[M+Na-2H]- 209.033246 143.0
[M]+ 188.05803142 137.2
[M]- 188.05912858 137.2
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