CID 966836

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

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

COC(=O)CN1C=CC2=CC=CC=C21

InChI

InChI=1S/C11H11NO2/c1-14-11(13)8-12-7-6-9-4-2-3-5-10(9)12/h2-7H,8H2,1H3

InChIKey

FSWMODFYWAQRFP-UHFFFAOYSA-N

Compound name

methyl 2-indol-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 189.07898 Da
Monoisotopic Mass: 2.7
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]+	190.08626	138.5
[M+Na]+	212.06820	148.4
[M-H]-	188.07170	142.4
[M+NH4]+	207.11280	160.0
[M+K]+	228.04214	146.0
[M+H-H2O]+	172.07624	132.1
[M+HCOO]-	234.07718	162.9
[M+CH3COO]-	248.09283	181.6
[M+Na-2H]-	210.05365	145.4
[M]+	189.07843	142.5
[M]-	189.07953	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe