CID 114038

Usaf in-6

Structural Information

Molecular Formula
C14H15NS
SMILES
C1=CC=C(C=C1)SCCCC2=CC=NC=C2
InChI
InChI=1S/C14H15NS/c1-2-6-14(7-3-1)16-12-4-5-13-8-10-15-11-9-13/h1-3,6-11H,4-5,12H2
InChIKey
FGUKFNLWDQMTGD-UHFFFAOYSA-N
Compound name
4-(3-phenylsulfanylpropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09251 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09979 150.2
[M+Na]+ 252.08173 165.5
[M+NH4]+ 247.12633 160.4
[M+K]+ 268.05567 154.0
[M-H]- 228.08523 155.8
[M+Na-2H]- 250.06718 160.8
[M]+ 229.09196 154.7
[M]- 229.09306 154.7
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

No patent data available for this compound.