CID 67300394

947412-98-8

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CO

InChI

InChI=1S/C11H11NO3/c1-15-11(14)7-2-3-10-9(4-7)8(6-13)5-12-10/h2-5,12-13H,6H2,1H3

InChIKey

AOEKDLRKBOVOJA-UHFFFAOYSA-N

Compound name

methyl 3-(hydroxymethyl)-1H-indole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 205.0739 Da
Monoisotopic Mass: 1.0
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	142.8
[M+Na]+	228.06312	154.9
[M+NH4]+	223.10772	150.1
[M+K]+	244.03706	151.5
[M-H]-	204.06662	142.8
[M+Na-2H]-	226.04857	147.5
[M]+	205.07335	144.3
[M]-	205.07445	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe