CID 2034851

1,3-dihydro-3-(((2-hydroxyethyl)amino)methylene)-2h-indol-2-one

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)C(=C(N2)O)C=NCCO

InChI

InChI=1S/C11H12N2O2/c14-6-5-12-7-9-8-3-1-2-4-10(8)13-11(9)15/h1-4,7,13-15H,5-6H2

InChIKey

QVLABDVFFKPPGN-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 204.08987 Da
Monoisotopic Mass: 0.9
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]+	205.097146	141.8
[M+Na]+	227.079088	151.2
[M-H]-	203.082594	143.1
[M+NH4]+	222.123693	161.2
[M+K]+	243.053028	146.5
[M+H-H2O]+	187.087130	135.7
[M+HCOO]-	249.088071	165.3
[M+CH3COO]-	263.103721	181.8
[M+Na-2H]-	225.064536	148.9
[M]+	204.08932142	142.4
[M]-	204.09041858	142.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.