CID 15958512

Methyl (2z)-2-hydroxy-2-(2-oxoindolin-3-ylidene)acetate

Structural Information

Molecular Formula

C₁₁H₉NO₄

SMILES

COC(=O)C(=O)C1=C(NC2=CC=CC=C21)O

InChI

InChI=1S/C11H9NO4/c1-16-11(15)9(13)8-6-4-2-3-5-7(6)12-10(8)14/h2-5,12,14H,1H3

InChIKey

YKTUYPQVOIBZMV-UHFFFAOYSA-N

Compound name

methyl 2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 219.05316 Da
Monoisotopic Mass: 2.3
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]+	220.060436	144.0
[M+Na]+	242.042378	153.6
[M-H]-	218.045884	145.6
[M+NH4]+	237.086983	162.7
[M+K]+	258.016318	150.6
[M+H-H2O]+	202.050420	138.3
[M+HCOO]-	264.051361	164.9
[M+CH3COO]-	278.067011	182.0
[M+Na-2H]-	240.027826	148.2
[M]+	219.05261142	146.2
[M]-	219.05370858	146.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.