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]+ 197.110696 142.5
[M+Na]+ 219.092638 149.1
[M-H]- 195.096144 145.9
[M+NH4]+ 214.137243 161.5
[M+K]+ 235.066578 147.1
[M+H-H2O]+ 179.100680 135.0
[M+HCOO]- 241.101621 161.6
[M+CH3COO]- 255.117271 189.2
[M+Na-2H]- 217.078086 146.5
[M]+ 196.10287142 145.9
[M]- 196.10396858 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.