CID 85385

16382-18-6

Structural Information

Molecular Formula

C₁₃H₁₅NO₄

SMILES

CCOC(=O)C1=CC2=CC(=C(C=C2N1)OC)OC

InChI

InChI=1S/C13H15NO4/c1-4-18-13(15)10-5-8-6-11(16-2)12(17-3)7-9(8)14-10/h5-7,14H,4H2,1-3H3

InChIKey

RBUSDPZPBBBAKR-UHFFFAOYSA-N

Compound name

ethyl 5,6-dimethoxy-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 90
Patents: 249.10011 Da
Monoisotopic Mass: 2.5
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]+	250.107386	153.5
[M+Na]+	272.089328	163.6
[M-H]-	248.092834	156.4
[M+NH4]+	267.133933	172.2
[M+K]+	288.063268	161.1
[M+H-H2O]+	232.097370	147.2
[M+HCOO]-	294.098311	176.1
[M+CH3COO]-	308.113961	191.6
[M+Na-2H]-	270.074776	157.6
[M]+	249.09956142	160.0
[M]-	249.10065858	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe