CID 4589028

51584-18-0

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

CN1C=C(C2=CC=CC=C21)C(=O)C(=O)O

InChI

InChI=1S/C11H9NO3/c1-12-6-8(10(13)11(14)15)7-4-2-3-5-9(7)12/h2-6H,1H3,(H,14,15)

InChIKey

UJQAQVXJQOQUEK-UHFFFAOYSA-N

Compound name

2-(1-methylindol-3-yl)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 203.05824 Da
Monoisotopic Mass: 1.7
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]+	204.06552	141.2
[M+Na]+	226.04746	153.6
[M+NH4]+	221.09206	148.5
[M+K]+	242.02140	150.6
[M-H]-	202.05096	141.3
[M+Na-2H]-	224.03291	146.1
[M]+	203.05769	142.8
[M]-	203.05879	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe