CID 3025106

Pyridine, 3-(((2-(dimethylamino)ethyl)thio)methyl)-

Structural Information

Molecular Formula
C10H16N2S
SMILES
CN(C)CCSCC1=CN=CC=C1
InChI
InChI=1S/C10H16N2S/c1-12(2)6-7-13-9-10-4-3-5-11-8-10/h3-5,8H,6-7,9H2,1-2H3
InChIKey
FZUOJBOMXDVLDA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10342 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11070 142.5
[M+Na]+ 219.09264 149.1
[M-H]- 195.09614 145.9
[M+NH4]+ 214.13724 161.5
[M+K]+ 235.06658 147.1
[M+H-H2O]+ 179.10068 135.0
[M+HCOO]- 241.10162 161.6
[M+CH3COO]- 255.11727 189.2
[M+Na-2H]- 217.07809 146.5
[M]+ 196.10287 145.9
[M]- 196.10397 145.9
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.