CID 10006571

104664-43-9

Structural Information

Molecular Formula
C14H21N2S
SMILES
C[N+]1=CC=CC=C1/C=C(/N2CCCCC2)\SC
InChI
InChI=1S/C14H21N2S/c1-15-9-7-4-8-13(15)12-14(17-2)16-10-5-3-6-11-16/h4,7-9,12H,3,5-6,10-11H2,1-2H3/q+1
InChIKey
QDQCXIHDMNAIDC-UHFFFAOYSA-N
Compound name
1-methyl-2-[(Z)-2-methylsulfanyl-2-piperidin-1-ylethenyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.14255 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14983 154.3
[M+Na]+ 272.13177 168.7
[M+NH4]+ 267.17637 164.3
[M+K]+ 288.10571 159.6
[M-H]- 248.13527 159.7
[M+Na-2H]- 270.11722 162.2
[M]+ 249.14200 158.7
[M]- 249.14310 158.7
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.