CID 81090

6613-64-5

Structural Information

Molecular Formula

C₁₀H₁₄NO₃S

SMILES

C=CC1=CC=CC=[N+]1CCCS(=O)(=O)O

InChI

InChI=1S/C10H13NO3S/c1-2-10-6-3-4-7-11(10)8-5-9-15(12,13)14/h2-4,6-7H,1,5,8-9H2/p+1

InChIKey

DNHDSWZXBHTLDP-UHFFFAOYSA-O

Compound name

3-(2-ethenylpyridin-1-ium-1-yl)propane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1291
Patents: 228.06944 Da
Monoisotopic Mass: 1.0
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]+	229.07672	146.5
[M+Na]+	251.05866	159.7
[M+NH4]+	246.10326	154.1
[M+K]+	267.03260	153.2
[M-H]-	227.06216	147.6
[M+Na-2H]-	249.04411	152.1
[M]+	228.06889	149.4
[M]-	228.06999	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe