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: 1
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]+	177.060666	134.8
[M+Na]+	199.042608	144.8
[M-H]-	175.046114	141.6
[M+NH4]+	194.087213	156.2
[M+K]+	215.016548	136.0
[M+H-H2O]+	159.050650	131.2
[M+HCOO]-	221.051591	154.9
[M+CH3COO]-	235.067241	171.3
[M+Na-2H]-	197.028056	140.6
[M]+	176.05284142	135.3
[M]-	176.05393858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe