CID 200479

Pyridine, 2,2'-dithiodimethylenedi-

Structural Information

Molecular Formula
C12H12N2S2
SMILES
C1=CC=NC(=C1)CSSCC2=CC=CC=N2
InChI
InChI=1S/C12H12N2S2/c1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14-12/h1-8H,9-10H2
InChIKey
OFTTWIVOOQDDII-UHFFFAOYSA-N
Compound name
2-[(pyridin-2-ylmethyldisulfanyl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

248.04419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05147 148.4
[M+Na]+ 271.03341 157.2
[M-H]- 247.03691 152.1
[M+NH4]+ 266.07801 163.8
[M+K]+ 287.00735 150.9
[M+H-H2O]+ 231.04145 140.6
[M+HCOO]- 293.04239 160.6
[M+CH3COO]- 307.05804 160.0
[M+Na-2H]- 269.01886 152.2
[M]+ 248.04364 150.7
[M]- 248.04474 150.7
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

patents stripe