CID 736556

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

Structural Information

Molecular Formula
C9H8N2
SMILES
C1=CN(C=C1)C2=CN=CC=C2
InChI
InChI=1S/C9H8N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-8H
InChIKey
SPFWVEKHAJYTGG-UHFFFAOYSA-N
Compound name
3-pyrrol-1-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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 126.8
[M+Na]+ 167.05796 135.6
[M-H]- 143.06146 131.0
[M+NH4]+ 162.10256 147.0
[M+K]+ 183.03190 133.0
[M+H-H2O]+ 127.06600 118.9
[M+HCOO]- 189.06694 151.1
[M+CH3COO]- 203.08259 141.1
[M+Na-2H]- 165.04341 135.1
[M]+ 144.06819 125.9
[M]- 144.06929 125.9
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