CID 1049

Pyridine

Structural Information

Molecular Formula

SMILES

C1=CC=NC=C1

InChI

InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H

InChIKey

JUJWROOIHBZHMG-UHFFFAOYSA-N

Compound name

pyridine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 13891
References: 565484
Patents: 79.0422 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	80.049476	109.7
[M+Na]+	102.03142	117.9
[M-H]-	78.034924	112.1
[M+NH4]+	97.076023	132.2
[M+K]+	118.00536	117.2
[M+H-H2O]+	62.039460	104.0
[M+HCOO]-	124.04040	134.4
[M+CH3COO]-	138.05605	161.0
[M+Na-2H]-	100.01687	121.2
[M]+	79.041651	108.3
[M]-	79.042749	108.3

Literature stripe

literature stripe

Patent stripe

patents stripe