CID 14532445

3-ethenyl-1h-indole

Structural Information

Molecular Formula
C10H9N
SMILES
C=CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C10H9N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2-7,11H,1H2
InChIKey
YAMMUQMONCMYCX-UHFFFAOYSA-N
Compound name
3-ethenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

225
Patents

143.0735 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08078 127.8
[M+Na]+ 166.06272 142.1
[M+NH4]+ 161.10732 137.5
[M+K]+ 182.03666 136.0
[M-H]- 142.06622 130.1
[M+Na-2H]- 164.04817 135.5
[M]+ 143.07295 130.5
[M]- 143.07405 130.5
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

patents stripe