CID 123386

Pyridine, 2,3,4,5-tetrahydro-6-(methylthio)-

Structural Information

Molecular Formula
C6H11NS
SMILES
CSC1=NCCCC1
InChI
InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7-6/h2-5H2,1H3
InChIKey
PKUXMLFNGATWSD-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-2,3,4,5-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

129.06122 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06850 124.1
[M+Na]+ 152.05044 131.2
[M-H]- 128.05394 126.3
[M+NH4]+ 147.09504 145.6
[M+K]+ 168.02438 129.7
[M+H-H2O]+ 112.05848 118.3
[M+HCOO]- 174.05942 140.3
[M+CH3COO]- 188.07507 169.0
[M+Na-2H]- 150.03589 128.4
[M]+ 129.06067 122.7
[M]- 129.06177 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe