CID 37610

2-carbethoxy-5-ethylindole

Structural Information

Molecular Formula
C13H15NO2
SMILES
CCC1=CC2=C(C=C1)NC(=C2)C(=O)OCC
InChI
InChI=1S/C13H15NO2/c1-3-9-5-6-11-10(7-9)8-12(14-11)13(15)16-4-2/h5-8,14H,3-4H2,1-2H3
InChIKey
BPAHRSSJFSVBFO-UHFFFAOYSA-N
Compound name
ethyl 5-ethyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

217.11028 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.2
[M+Na]+ 240.09950 157.7
[M-H]- 216.10300 150.7
[M+NH4]+ 235.14410 168.1
[M+K]+ 256.07344 153.9
[M+H-H2O]+ 200.10754 142.0
[M+HCOO]- 262.10848 170.4
[M+CH3COO]- 276.12413 186.2
[M+Na-2H]- 238.08495 152.8
[M]+ 217.10973 151.4
[M]- 217.11083 151.4
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