CID 820397

2-(1h-pyrrol-3-yl)pyridine

Structural Information

Molecular Formula
C9H8N2
SMILES
C1=CC=NC(=C1)C2=CNC=C2
InChI
InChI=1S/C9H8N2/c1-2-5-11-9(3-1)8-4-6-10-7-8/h1-7,10H
InChIKey
ATBQNMCKZCSBEC-UHFFFAOYSA-N
Compound name
2-(1H-pyrrol-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

522
Patents

144.06874 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07602 127.3
[M+Na]+ 167.05796 135.8
[M-H]- 143.06146 130.2
[M+NH4]+ 162.10256 146.9
[M+K]+ 183.03190 132.2
[M+H-H2O]+ 127.06600 119.8
[M+HCOO]- 189.06694 150.1
[M+CH3COO]- 203.08259 140.9
[M+Na-2H]- 165.04341 135.2
[M]+ 144.06819 124.6
[M]- 144.06929 124.6
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

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