CID 57466

1h-indole, 1-ethyl-3-(ethylthio)-

Structural Information

Molecular Formula
C12H15NS
SMILES
CCN1C=C(C2=CC=CC=C21)SCC
InChI
InChI=1S/C12H15NS/c1-3-13-9-12(14-4-2)10-7-5-6-8-11(10)13/h5-9H,3-4H2,1-2H3
InChIKey
CACKJCYLFIPFCE-UHFFFAOYSA-N
Compound name
1-ethyl-3-ethylsulfanylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.09251 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09979 144.2
[M+Na]+ 228.08173 158.5
[M+NH4]+ 223.12633 154.6
[M+K]+ 244.05567 149.8
[M-H]- 204.08523 147.5
[M+Na-2H]- 226.06718 150.9
[M]+ 205.09196 147.9
[M]- 205.09306 147.9
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.