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 149.5
[M+Na]+ 252.08173 156.8
[M-H]- 228.08523 154.5
[M+NH4]+ 247.12633 166.6
[M+K]+ 268.05567 151.8
[M+H-H2O]+ 212.08977 141.6
[M+HCOO]- 274.09071 167.6
[M+CH3COO]- 288.10636 161.6
[M+Na-2H]- 250.06718 154.5
[M]+ 229.09196 151.2
[M]- 229.09306 151.2
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.