CID 45791066

1268971-48-7

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

COC1=CC2=C(C=C1)NC(=O)C2N

InChI

InChI=1S/C9H10N2O2/c1-13-5-2-3-7-6(4-5)8(10)9(12)11-7/h2-4,8H,10H2,1H3,(H,11,12)

InChIKey

BXDYUCKMRMHEON-UHFFFAOYSA-N

Compound name

3-amino-5-methoxy-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.07423 Da
Monoisotopic Mass: -0.1
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]+	179.08151	135.9
[M+Na]+	201.06345	146.7
[M+NH4]+	196.10805	143.8
[M+K]+	217.03739	143.4
[M-H]-	177.06695	136.9
[M+Na-2H]-	199.04890	139.8
[M]+	178.07368	137.4
[M]-	178.07478	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe