CID 61310595

Methyl 6-amino-1h-indole-3-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

COC(=O)C1=CNC2=C1C=CC(=C2)N

InChI

InChI=1S/C10H10N2O2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,11H2,1H3

InChIKey

LYNKTDFIPVBZHP-UHFFFAOYSA-N

Compound name

methyl 6-amino-1H-indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 190.07423 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]+	191.08151	138.6
[M+Na]+	213.06345	150.3
[M+NH4]+	208.10805	146.3
[M+K]+	229.03739	147.0
[M-H]-	189.06695	139.7
[M+Na-2H]-	211.04890	143.9
[M]+	190.07368	140.3
[M]-	190.07478	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe