CID 90677

24985-85-1

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)O

InChI

InChI=1S/C11H11NO3/c1-2-15-11(14)10-6-7-5-8(13)3-4-9(7)12-10/h3-6,12-13H,2H2,1H3

InChIKey

WANAXLMRGYGCPC-UHFFFAOYSA-N

Compound name

ethyl 5-hydroxy-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 357
Patents: 205.0739 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe