CID 639843

Methyl n-methylindole-6-carboxylate

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: 243
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]+	190.086256	138.0
[M+Na]+	212.068198	148.9
[M-H]-	188.071704	142.3
[M+NH4]+	207.112803	159.8
[M+K]+	228.042138	146.5
[M+H-H2O]+	172.076240	132.0
[M+HCOO]-	234.077181	162.4
[M+CH3COO]-	248.092831	182.7
[M+Na-2H]-	210.053646	144.2
[M]+	189.07843142	142.4
[M]-	189.07952858	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe