CID 12665456

4-(1h-pyrrol-3-yl)pyridine

Structural Information

Molecular Formula
C9H8N2
SMILES
C1=CNC=C1C2=CC=NC=C2
InChI
InChI=1S/C9H8N2/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1-7,11H
InChIKey
SOADNXUWSUZTGY-UHFFFAOYSA-N
Compound name
4-(1H-pyrrol-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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

No literature data available for this compound.

Patent stripe

patents stripe