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]+ 225.141996 151.3
[M+Na]+ 247.123938 157.1
[M-H]- 223.127444 154.4
[M+NH4]+ 242.168543 169.3
[M+K]+ 263.097878 154.6
[M+H-H2O]+ 207.131980 143.5
[M+HCOO]- 269.132921 169.8
[M+CH3COO]- 283.148571 195.2
[M+Na-2H]- 245.109386 154.4
[M]+ 224.13417142 155.5
[M]- 224.13526858 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.