CID 639843

1204-32-6

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CN1C=CC2=C1C=C(C=C2)C(=O)OC

InChI

InChI=1S/C11H11NO2/c1-12-6-5-8-3-4-9(7-10(8)12)11(13)14-2/h3-7H,1-2H3

InChIKey

NMILWYUYIFMKTE-UHFFFAOYSA-N

Compound name

methyl 1-methylindole-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 226
Patents: 189.07898 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]+	190.08626	138.4
[M+Na]+	212.06820	152.2
[M+NH4]+	207.11280	147.1
[M+K]+	228.04214	147.6
[M-H]-	188.07170	140.0
[M+Na-2H]-	210.05365	144.9
[M]+	189.07843	140.8
[M]-	189.07953	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe