CID 3025100

Pyridine, 3-((cyclohexylthio)methyl)-

Structural Information

Molecular Formula
C12H17NS
SMILES
C1CCC(CC1)SCC2=CN=CC=C2
InChI
InChI=1S/C12H17NS/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h4-5,8-9,12H,1-3,6-7,10H2
InChIKey
SZYLLWWVPFAVSY-UHFFFAOYSA-N
Compound name
3-(cyclohexylsulfanylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10817 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.115446 144.9
[M+Na]+ 230.097388 149.9
[M-H]- 206.100894 149.2
[M+NH4]+ 225.141993 162.6
[M+K]+ 246.071328 146.2
[M+H-H2O]+ 190.105430 137.3
[M+HCOO]- 252.106371 159.4
[M+CH3COO]- 266.122021 156.2
[M+Na-2H]- 228.082836 148.0
[M]+ 207.10762142 141.8
[M]- 207.10871858 141.8
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.