CID 2255980

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

Structural Information

Molecular Formula
C9H13NS
SMILES
CCSCCC1=CC=NC=C1
InChI
InChI=1S/C9H13NS/c1-2-11-8-5-9-3-6-10-7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChIKey
GVTNTCNPNBRSHW-UHFFFAOYSA-N
Compound name
4-(2-ethylsulfanylethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

167.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08415 133.6
[M+Na]+ 190.06609 141.5
[M-H]- 166.06959 135.9
[M+NH4]+ 185.11069 153.6
[M+K]+ 206.04003 138.6
[M+H-H2O]+ 150.07413 127.2
[M+HCOO]- 212.07507 151.7
[M+CH3COO]- 226.09072 178.0
[M+Na-2H]- 188.05154 138.4
[M]+ 167.07632 136.2
[M]- 167.07742 136.2
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

patents stripe