CID 3051849

Pyridinium, 2,6-bis((dithiocarboxy)methyl)-1-methyl-, hydroxide, inner salt, sodium salt

Structural Information

Molecular Formula
C10H12NS4
SMILES
C[N+]1=C(C=CC=C1CC(=S)S)CC(=S)S
InChI
InChI=1S/C10H11NS4/c1-11-7(5-9(12)13)3-2-4-8(11)6-10(14)15/h2-4H,5-6H2,1H3,(H-,12,13,14,15)/p+1
InChIKey
CPXFIRWHAZIWOX-UHFFFAOYSA-O
Compound name
2-[1-methyl-6-(2-sulfanyl-2-sulfanylideneethyl)pyridin-1-ium-2-yl]ethanedithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.98526 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99254 145.8
[M+Na]+ 296.97448 157.3
[M+NH4]+ 292.01908 155.4
[M+K]+ 312.94842 146.1
[M-H]- 272.97798 149.5
[M+Na-2H]- 294.95993 149.3
[M]+ 273.98471 150.5
[M]- 273.98581 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.