CID 3077490

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

Structural Information

Molecular Formula
C14H23NS
SMILES
CCCCCCCSCCC1=CC=NC=C1
InChI
InChI=1S/C14H23NS/c1-2-3-4-5-6-12-16-13-9-14-7-10-15-11-8-14/h7-8,10-11H,2-6,9,12-13H2,1H3
InChIKey
JLRXUMNCCCPYNK-UHFFFAOYSA-N
Compound name
4-(2-heptylsulfanylethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.15512 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16240 155.7
[M+Na]+ 260.14434 161.4
[M-H]- 236.14784 157.0
[M+NH4]+ 255.18894 172.9
[M+K]+ 276.11828 157.2
[M+H-H2O]+ 220.15238 148.2
[M+HCOO]- 282.15332 172.1
[M+CH3COO]- 296.16897 193.0
[M+Na-2H]- 258.12979 157.9
[M]+ 237.15457 160.1
[M]- 237.15567 160.1
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.