CID 3025108

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

Structural Information

Molecular Formula
C11H18N2S
SMILES
CC(CSCC1=CN=CC=C1)N(C)C
InChI
InChI=1S/C11H18N2S/c1-10(13(2)3)8-14-9-11-5-4-6-12-7-11/h4-7,10H,8-9H2,1-3H3
InChIKey
CAXVNNIJRUSCDB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11906 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12634 147.5
[M+Na]+ 233.10828 158.9
[M+NH4]+ 228.15288 156.5
[M+K]+ 249.08222 150.3
[M-H]- 209.11178 150.6
[M+Na-2H]- 231.09373 154.1
[M]+ 210.11851 150.5
[M]- 210.11961 150.5
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.