CID 3088793

2-(2-pyridylethyl)disulphide dihydrochloride

Structural Information

Molecular Formula
C14H16N2S2
SMILES
C1=CC=NC(=C1)CCSSCCC2=CC=CC=N2
InChI
InChI=1S/C14H16N2S2/c1-3-9-15-13(5-1)7-11-17-18-12-8-14-6-2-4-10-16-14/h1-6,9-10H,7-8,11-12H2
InChIKey
WTCYBKHKWMXJOG-UHFFFAOYSA-N
Compound name
2-[2-(2-pyridin-2-ylethyldisulfanyl)ethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

276.0755 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08278 156.6
[M+Na]+ 299.06472 164.5
[M-H]- 275.06822 159.9
[M+NH4]+ 294.10932 170.8
[M+K]+ 315.03866 157.7
[M+H-H2O]+ 259.07276 148.4
[M+HCOO]- 321.07370 168.1
[M+CH3COO]- 335.08935 167.3
[M+Na-2H]- 297.05017 159.5
[M]+ 276.07495 159.5
[M]- 276.07605 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe