CID 3025102

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

Structural Information

Molecular Formula
C12H20N2S
SMILES
CCN(CC)CCSCC1=CN=CC=C1
InChI
InChI=1S/C12H20N2S/c1-3-14(4-2)8-9-15-11-12-6-5-7-13-10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKey
WBAMXEFWXGRZSC-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13472 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14200 151.3
[M+Na]+ 247.12394 157.1
[M-H]- 223.12744 154.4
[M+NH4]+ 242.16854 169.3
[M+K]+ 263.09788 154.6
[M+H-H2O]+ 207.13198 143.5
[M+HCOO]- 269.13292 169.8
[M+CH3COO]- 283.14857 195.2
[M+Na-2H]- 245.10939 154.4
[M]+ 224.13417 155.5
[M]- 224.13527 155.5
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.