CID 5040885

5-methoxy-7-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CC1=CC(=CC2=C1NC(=C2)C(=O)O)OC

InChI

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

InChIKey

JIQFMKOUAVIMCL-UHFFFAOYSA-N

Compound name

5-methoxy-7-methyl-1H-indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.0739 Da
Monoisotopic Mass: 2.2
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]+	206.081176	141.6
[M+Na]+	228.063118	152.3
[M-H]-	204.066624	143.4
[M+NH4]+	223.107723	161.4
[M+K]+	244.037058	148.7
[M+H-H2O]+	188.071160	136.2
[M+HCOO]-	250.072101	163.1
[M+CH3COO]-	264.087751	181.7
[M+Na-2H]-	226.048566	146.3
[M]+	205.07335142	144.2
[M]-	205.07444858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe