CID 11138194

71056-61-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C11H12N2O2/c1-2-15-11(14)9-6-7-4-3-5-8(12)10(7)13-9/h3-6,13H,2,12H2,1H3

InChIKey

CNBYMDSUCXNDIT-UHFFFAOYSA-N

Compound name

ethyl 7-amino-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 224
Patents: 204.08987 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]+	205.09715	142.9
[M+Na]+	227.07909	152.3
[M-H]-	203.08259	145.2
[M+NH4]+	222.12369	162.7
[M+K]+	243.05303	148.7
[M+H-H2O]+	187.08713	136.6
[M+HCOO]-	249.08807	166.1
[M+CH3COO]-	263.10372	184.5
[M+Na-2H]-	225.06454	148.0
[M]+	204.08932	143.7
[M]-	204.09042	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe