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]+ 208.11545 144.9
[M+Na]+ 230.09739 149.9
[M-H]- 206.10089 149.2
[M+NH4]+ 225.14199 162.6
[M+K]+ 246.07133 146.2
[M+H-H2O]+ 190.10543 137.3
[M+HCOO]- 252.10637 159.4
[M+CH3COO]- 266.12202 156.2
[M+Na-2H]- 228.08284 148.0
[M]+ 207.10762 141.8
[M]- 207.10872 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.