CID 24727993

103956-00-9

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

COC(=O)C1=C2C=CNC2=CC(=C1)N

InChI

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

InChIKey

PKIUHYJRVJSXEX-UHFFFAOYSA-N

Compound name

methyl 6-amino-1H-indole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 190.07423 Da
Monoisotopic Mass: 1.2
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	138.2
[M+Na]+	213.06345	148.1
[M-H]-	189.06695	140.7
[M+NH4]+	208.10805	158.6
[M+K]+	229.03739	144.7
[M+H-H2O]+	173.07149	132.1
[M+HCOO]-	235.07243	161.8
[M+CH3COO]-	249.08808	181.5
[M+Na-2H]-	211.04890	143.9
[M]+	190.07368	138.7
[M]-	190.07478	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe