CID 139035

88210-96-2

Structural Information

Molecular Formula

C₁₁H₁₁NO₄

SMILES

COC1=C(C=C2C(=C1)C=C(N2)C(=O)O)OC

InChI

InChI=1S/C11H11NO4/c1-15-9-4-6-3-8(11(13)14)12-7(6)5-10(9)16-2/h3-5,12H,1-2H3,(H,13,14)

InChIKey

UZHQHNDRVITJPL-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-1H-indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 191
Patents: 221.0688 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]+	222.076076	144.4
[M+Na]+	244.058018	154.8
[M-H]-	220.061524	146.2
[M+NH4]+	239.102623	163.4
[M+K]+	260.031958	151.9
[M+H-H2O]+	204.066060	138.7
[M+HCOO]-	266.067001	166.0
[M+CH3COO]-	280.082651	183.8
[M+Na-2H]-	242.043466	149.1
[M]+	221.06825142	148.4
[M]-	221.06934858	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe