CID 59757273

2-(but-3-yn-1-yldisulfanyl)pyridine

Structural Information

Molecular Formula
C9H9NS2
SMILES
C#CCCSSC1=CC=CC=N1
InChI
InChI=1S/C9H9NS2/c1-2-3-8-11-12-9-6-4-5-7-10-9/h1,4-7H,3,8H2
InChIKey
CQMXSDGRDISUJV-UHFFFAOYSA-N
Compound name
2-(but-3-ynyldisulfanyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

195.01764 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02492 141.6
[M+Na]+ 218.00686 152.5
[M-H]- 194.01036 143.4
[M+NH4]+ 213.05146 158.8
[M+K]+ 233.98080 147.8
[M+H-H2O]+ 178.01490 129.8
[M+HCOO]- 240.01584 149.3
[M+CH3COO]- 254.03149 189.4
[M+Na-2H]- 215.99231 143.2
[M]+ 195.01709 139.0
[M]- 195.01819 139.0
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