CID 3057342

3-dipicolinyl disulfide dihydrochloride

Structural Information

Molecular Formula
C12H12N2S2
SMILES
C1=CC(=CN=C1)CSSCC2=CN=CC=C2
InChI
InChI=1S/C12H12N2S2/c1-3-11(7-13-5-1)9-15-16-10-12-4-2-6-14-8-12/h1-8H,9-10H2
InChIKey
MKZXWJQNCUGVHR-UHFFFAOYSA-N
Compound name
3-[(pyridin-3-ylmethyldisulfanyl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 148.7
[M+Na]+ 271.03341 163.4
[M+NH4]+ 266.07801 158.6
[M+K]+ 287.00735 151.0
[M-H]- 247.03691 153.6
[M+Na-2H]- 269.01886 158.2
[M]+ 248.04364 153.3
[M]- 248.04474 153.3
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