CID 51080

1h-indole, 3-(ethenylthio)-

Structural Information

Molecular Formula
C10H9NS
SMILES
C=CSC1=CNC2=CC=CC=C21
InChI
InChI=1S/C10H9NS/c1-2-12-10-7-11-9-6-4-3-5-8(9)10/h2-7,11H,1H2
InChIKey
GGHNHDGOUIQIIP-UHFFFAOYSA-N
Compound name
3-ethenylsulfanyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.04558 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05286 135.0
[M+Na]+ 198.03480 148.8
[M+NH4]+ 193.07940 145.1
[M+K]+ 214.00874 140.5
[M-H]- 174.03830 137.5
[M+Na-2H]- 196.02025 141.7
[M]+ 175.04503 138.2
[M]- 175.04613 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.