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

277
Patents

143.0735 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.080776 126.9
[M+Na]+ 166.062718 137.3
[M-H]- 142.066224 129.4
[M+NH4]+ 161.107323 149.7
[M+K]+ 182.036658 132.7
[M+H-H2O]+ 126.070760 121.3
[M+HCOO]- 188.071701 150.8
[M+CH3COO]- 202.087351 141.5
[M+Na-2H]- 164.048166 135.2
[M]+ 143.07295142 126.6
[M]- 143.07404858 126.6
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