CID 200278

1h-indole, 3-(ethylthio)-

Structural Information

Molecular Formula
C10H11NS
SMILES
CCSC1=CNC2=CC=CC=C21
InChI
InChI=1S/C10H11NS/c1-2-12-10-7-11-9-6-4-3-5-8(9)10/h3-7,11H,2H2,1H3
InChIKey
GVTSOZQVZDCGAQ-UHFFFAOYSA-N
Compound name
3-ethylsulfanyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

177.06122 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06850 134.4
[M+Na]+ 200.05044 145.3
[M-H]- 176.05394 137.3
[M+NH4]+ 195.09504 156.8
[M+K]+ 216.02438 140.6
[M+H-H2O]+ 160.05848 129.2
[M+HCOO]- 222.05942 153.1
[M+CH3COO]- 236.07507 148.6
[M+Na-2H]- 198.03589 139.4
[M]+ 177.06067 137.4
[M]- 177.06177 137.4
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.