CID 68125

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

Structural Information

Molecular Formula
C9H8N2
SMILES
C1=CC(=CN=C1)C2=CC=CN2
InChI
InChI=1S/C9H8N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7,11H
InChIKey
CBTWKRLUNDZXIF-UHFFFAOYSA-N
Compound name
3-(1H-pyrrol-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

214
Patents

144.06874 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.076016 127.3
[M+Na]+ 167.057958 135.8
[M-H]- 143.061464 130.2
[M+NH4]+ 162.102563 146.9
[M+K]+ 183.031898 132.2
[M+H-H2O]+ 127.066000 119.8
[M+HCOO]- 189.066941 150.1
[M+CH3COO]- 203.082591 140.9
[M+Na-2H]- 165.043406 135.2
[M]+ 144.06819142 124.6
[M]- 144.06928858 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

patents stripe