CID 3018671

76732-76-8

Structural Information

Molecular Formula
C9H11NS
SMILES
C1CC(SC1)C2=CC=CC=N2
InChI
InChI=1S/C9H11NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1-2,4,6,9H,3,5,7H2
InChIKey
MCXIBJPBLIURRN-UHFFFAOYSA-N
Compound name
2-(thiolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

165.06122 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.068496 133.1
[M+Na]+ 188.050438 140.7
[M-H]- 164.053944 138.5
[M+NH4]+ 183.095043 154.7
[M+K]+ 204.024378 138.1
[M+H-H2O]+ 148.058480 126.6
[M+HCOO]- 210.059421 150.9
[M+CH3COO]- 224.075071 146.6
[M+Na-2H]- 186.035886 135.9
[M]+ 165.06067142 131.4
[M]- 165.06176858 131.4
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