CID 17750956

6-methoxy-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

COC1=CC2=C(C=C1)C(=CN2)C(=O)O

InChI

InChI=1S/C10H9NO3/c1-14-6-2-3-7-8(10(12)13)5-11-9(7)4-6/h2-5,11H,1H3,(H,12,13)

InChIKey

LPBGVZVDBKMWFS-UHFFFAOYSA-N

Compound name

6-methoxy-1H-indole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 191.05824 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]+	192.06552	138.1
[M+Na]+	214.04746	150.4
[M+NH4]+	209.09206	145.5
[M+K]+	230.02140	147.2
[M-H]-	190.05096	138.1
[M+Na-2H]-	212.03291	143.1
[M]+	191.05769	139.6
[M]-	191.05879	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe