CID 10774598

180624-24-2

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

COC1=C2C(=CC(=C1)C(=O)OC)C=CN2

InChI

InChI=1S/C11H11NO3/c1-14-9-6-8(11(13)15-2)5-7-3-4-12-10(7)9/h3-6,12H,1-2H3

InChIKey

MLHFMFQDMLBLID-UHFFFAOYSA-N

Compound name

methyl 7-methoxy-1H-indole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 205.0739 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]+	206.081176	141.6
[M+Na]+	228.063118	151.9
[M-H]-	204.066624	144.5
[M+NH4]+	223.107723	161.9
[M+K]+	244.037058	149.2
[M+H-H2O]+	188.071160	135.6
[M+HCOO]-	250.072101	164.7
[M+CH3COO]-	264.087751	182.2
[M+Na-2H]-	226.048566	147.4
[M]+	205.07335142	145.6
[M]-	205.07444858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe