CID 136350

2-styrylpyridine

Structural Information

Molecular Formula

C₁₃H₁₁N

SMILES

C1=CC=C(C=C1)C=CC2=CC=CC=N2

InChI

InChI=1S/C13H11N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-11H

InChIKey

BIAWAXVRXKIUQB-UHFFFAOYSA-N

Compound name

2-(2-phenylethenyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 2367
Patents: 181.08914 Da
Monoisotopic Mass: 3.2
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]+	182.09642	138.4
[M+Na]+	204.07836	145.9
[M-H]-	180.08186	143.4
[M+NH4]+	199.12296	156.6
[M+K]+	220.05230	141.5
[M+H-H2O]+	164.08640	130.6
[M+HCOO]-	226.08734	162.1
[M+CH3COO]-	240.10299	151.6
[M+Na-2H]-	202.06381	147.3
[M]+	181.08859	136.8
[M]-	181.08969	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe