CID 117912

27058-43-1

Structural Information

Molecular Formula

C₁₀H₁₀NS

SMILES

C[N+]1=CC=C(C=C1)C2=CC=CS2

InChI

InChI=1S/C10H10NS/c1-11-6-4-9(5-7-11)10-3-2-8-12-10/h2-8H,1H3/q+1

InChIKey

KVPDZDBLVINAFS-UHFFFAOYSA-N

Compound name

1-methyl-4-thiophen-2-ylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.05339 Da
Monoisotopic Mass: 2.8
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]+	177.06067	131.7
[M+Na]+	199.04261	148.2
[M+NH4]+	194.08721	143.4
[M+K]+	215.01655	140.7
[M-H]-	175.04611	138.2
[M+Na-2H]-	197.02806	142.2
[M]+	176.05284	136.9
[M]-	176.05394	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe