CID 819002

4-(thiophen-3-yl)pyridine

Structural Information

Molecular Formula

SMILES

C1=CN=CC=C1C2=CSC=C2

InChI

InChI=1S/C9H7NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1-7H

InChIKey

HVPPTNADZDAEQR-UHFFFAOYSA-N

Compound name

4-thiophen-3-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 161.02992 Da
Monoisotopic Mass: 2.2
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]+	162.037196	129.8
[M+Na]+	184.019138	139.7
[M-H]-	160.022644	136.1
[M+NH4]+	179.063743	151.8
[M+K]+	199.993078	136.5
[M+H-H2O]+	144.027180	123.5
[M+HCOO]-	206.028121	150.6
[M+CH3COO]-	220.043771	144.6
[M+Na-2H]-	182.004586	134.6
[M]+	161.02937142	131.0
[M]-	161.03046858	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe