CID 14987287

1-methyl-1h-indole-4-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CN1C=CC2=C(C=CC=C21)C(=O)O

InChI

InChI=1S/C10H9NO2/c1-11-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-6H,1H3,(H,12,13)

InChIKey

FUPJJUHCLDXVGX-UHFFFAOYSA-N

Compound name

1-methylindole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
Patents: 175.06332 Da
Monoisotopic Mass: 1.5
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]+	176.07060	134.3
[M+Na]+	198.05254	147.7
[M+NH4]+	193.09714	142.7
[M+K]+	214.02648	143.6
[M-H]-	174.05604	135.4
[M+Na-2H]-	196.03799	140.4
[M]+	175.06277	136.4
[M]-	175.06387	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe