CID 117921

27079-65-8

Structural Information

Molecular Formula

C₁₀H₁₀NS

SMILES

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

InChI

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

InChIKey

JVNLQIOOTLHCIJ-UHFFFAOYSA-N

Compound name

1-methyl-4-thiophen-3-ylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.05339 Da
Monoisotopic Mass: 2.3
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	134.8
[M+Na]+	199.04261	144.8
[M-H]-	175.04611	141.6
[M+NH4]+	194.08721	156.2
[M+K]+	215.01655	136.0
[M+H-H2O]+	159.05065	131.2
[M+HCOO]-	221.05159	154.9
[M+CH3COO]-	235.06724	171.3
[M+Na-2H]-	197.02806	140.6
[M]+	176.05284	135.3
[M]-	176.05394	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe