CID 73125

Ethyl indole-2-carboxylate

Structural Information

Molecular Formula
C11H11NO2
SMILES
CCOC(=O)C1=CC2=CC=CC=C2N1
InChI
InChI=1S/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3
InChIKey
QQXQAEWRSVZPJM-UHFFFAOYSA-N
Compound name
ethyl 1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2136
Patents

189.07898 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.0
[M+Na]+ 212.06820 148.5
[M-H]- 188.07170 141.5
[M+NH4]+ 207.11280 159.7
[M+K]+ 228.04214 145.2
[M+H-H2O]+ 172.07624 132.9
[M+HCOO]- 234.07718 161.9
[M+CH3COO]- 248.09283 179.0
[M+Na-2H]- 210.05365 145.4
[M]+ 189.07843 141.1
[M]- 189.07953 141.1
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