CID 3025112

Pyridine, 3-((propylthio)methyl)-

Structural Information

Molecular Formula
C9H13NS
SMILES
CCCSCC1=CN=CC=C1
InChI
InChI=1S/C9H13NS/c1-2-6-11-8-9-4-3-5-10-7-9/h3-5,7H,2,6,8H2,1H3
InChIKey
MISHQSUTHCCEIA-UHFFFAOYSA-N
Compound name
3-(propylsulfanylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.07687 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08415 135.0
[M+Na]+ 190.06609 148.2
[M+NH4]+ 185.11069 144.7
[M+K]+ 206.04003 138.3
[M-H]- 166.06959 137.8
[M+Na-2H]- 188.05154 142.4
[M]+ 167.07632 138.2
[M]- 167.07742 138.2
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