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]+ 196.024916 141.6
[M+Na]+ 218.006858 152.5
[M-H]- 194.010364 143.4
[M+NH4]+ 213.051463 158.8
[M+K]+ 233.980798 147.8
[M+H-H2O]+ 178.014900 129.8
[M+HCOO]- 240.015841 149.3
[M+CH3COO]- 254.031491 189.4
[M+Na-2H]- 215.992306 143.2
[M]+ 195.01709142 139.0
[M]- 195.01818858 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