CID 43165394

Methyl 2-(5-amino-1h-indol-1-yl)acetate

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

COC(=O)CN1C=CC2=C1C=CC(=C2)N

InChI

InChI=1S/C11H12N2O2/c1-15-11(14)7-13-5-4-8-6-9(12)2-3-10(8)13/h2-6H,7,12H2,1H3

InChIKey

FPNXFJVIMBJDBY-UHFFFAOYSA-N

Compound name

methyl 2-(5-aminoindol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 204.08987 Da
Monoisotopic Mass: 1.3
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	142.5
[M+Na]+	227.07909	152.4
[M-H]-	203.08259	146.2
[M+NH4]+	222.12369	163.0
[M+K]+	243.05303	149.6
[M+H-H2O]+	187.08713	136.0
[M+HCOO]-	249.08807	167.3
[M+CH3COO]-	263.10372	187.0
[M+Na-2H]-	225.06454	148.1
[M]+	204.08932	145.2
[M]-	204.09042	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe