CID 84394

Ethyl 3-hydroxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H11NO3
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N1)O
InChI
InChI=1S/C11H11NO3/c1-2-15-11(14)9-10(13)7-5-3-4-6-8(7)12-9/h3-6,12-13H,2H2,1H3
InChIKey
XSHRJOVZKKCTIU-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

205.0739 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 142.2
[M+Na]+ 228.063118 152.0
[M-H]- 204.066624 143.6
[M+NH4]+ 223.107723 161.8
[M+K]+ 244.037058 148.4
[M+H-H2O]+ 188.071160 136.4
[M+HCOO]- 250.072101 163.7
[M+CH3COO]- 264.087751 179.8
[M+Na-2H]- 226.048566 147.5
[M]+ 205.07335142 144.3
[M]- 205.07444858 144.3
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