CID 84672987

2-[(1-methyl-1h-indol-5-yl)oxy]acetic acid

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CN1C=CC2=C1C=CC(=C2)OCC(=O)O

InChI

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

InChIKey

OIZMFFLXWDVMOQ-UHFFFAOYSA-N

Compound name

2-(1-methylindol-5-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.0739 Da
Monoisotopic Mass: 1.6
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	141.4
[M+Na]+	228.063118	151.5
[M-H]-	204.066624	144.2
[M+NH4]+	223.107723	161.6
[M+K]+	244.037058	148.8
[M+H-H2O]+	188.071160	135.4
[M+HCOO]-	250.072101	164.4
[M+CH3COO]-	264.087751	182.9
[M+Na-2H]-	226.048566	147.2
[M]+	205.07335142	145.4
[M]-	205.07444858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.