CID 44721398

885272-25-3

Structural Information

Molecular Formula

C₁₁H₁₁NO₄

SMILES

COC1=CC2=C(C=C1)NC(=O)C2CC(=O)O

InChI

InChI=1S/C11H11NO4/c1-16-6-2-3-9-7(4-6)8(5-10(13)14)11(15)12-9/h2-4,8H,5H2,1H3,(H,12,15)(H,13,14)

InChIKey

KUMQZWGBZRNGQO-UHFFFAOYSA-N

Compound name

2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 221.0688 Da
Monoisotopic Mass: 0.3
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	145.7
[M+Na]+	244.058018	154.4
[M-H]-	220.061524	146.7
[M+NH4]+	239.102623	164.5
[M+K]+	260.031958	151.3
[M+H-H2O]+	204.066060	140.2
[M+HCOO]-	266.067001	164.7
[M+CH3COO]-	280.082651	183.7
[M+Na-2H]-	242.043466	148.6
[M]+	221.06825142	146.2
[M]-	221.06934858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe