CID 3077488

Pyridine, 4-(2-(pentylthio)ethyl)-

Structural Information

Molecular Formula
C12H19NS
SMILES
CCCCCSCCC1=CC=NC=C1
InChI
InChI=1S/C12H19NS/c1-2-3-4-10-14-11-7-12-5-8-13-9-6-12/h5-6,8-9H,2-4,7,10-11H2,1H3
InChIKey
QHTNTEFDGFBAEA-UHFFFAOYSA-N
Compound name
4-(2-pentylsulfanylethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.12383 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13111 146.9
[M+Na]+ 232.11305 153.5
[M-H]- 208.11655 148.6
[M+NH4]+ 227.15765 165.2
[M+K]+ 248.08699 149.8
[M+H-H2O]+ 192.12109 139.8
[M+HCOO]- 254.12203 164.0
[M+CH3COO]- 268.13768 187.0
[M+Na-2H]- 230.09850 150.2
[M]+ 209.12328 150.6
[M]- 209.12438 150.6
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.