CID 10966428

107575-60-0

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C12H14N2O3/c1-3-17-12(15)10-4-7-5-11(16-2)8(13)6-9(7)14-10/h4-6,14H,3,13H2,1-2H3

InChIKey

DIEUGINJYISDCB-UHFFFAOYSA-N

Compound name

ethyl 6-amino-5-methoxy-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 317
Patents: 234.10045 Da
Monoisotopic Mass: 1.9
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]+	235.107726	150.4
[M+Na]+	257.089668	160.1
[M-H]-	233.093174	152.8
[M+NH4]+	252.134273	169.1
[M+K]+	273.063608	156.9
[M+H-H2O]+	217.097710	144.0
[M+HCOO]-	279.098651	173.4
[M+CH3COO]-	293.114301	190.9
[M+Na-2H]-	255.075116	154.3
[M]+	234.09990142	153.3
[M]-	234.10099858	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe