CID 5274452

Methyl 4-hydroxy-1-methyl-1h-indole-5-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CN1C=CC2=C1C=CC(=C2O)C(=O)OC

InChI

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

InChIKey

BKNNEMFPUYJMRW-UHFFFAOYSA-N

Compound name

methyl 4-hydroxy-1-methylindole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 205.0739 Da
Monoisotopic Mass: 2.0
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]+	206.08118	141.2
[M+Na]+	228.06312	152.4
[M-H]-	204.06662	144.5
[M+NH4]+	223.10772	161.8
[M+K]+	244.03706	149.7
[M+H-H2O]+	188.07116	135.5
[M+HCOO]-	250.07210	164.2
[M+CH3COO]-	264.08775	183.5
[M+Na-2H]-	226.04857	146.3
[M]+	205.07335	145.6
[M]-	205.07445	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe