CID 45791067

1268957-08-9

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

COC1=CC2=C(C=C1)C(C(=O)N2)N

InChI

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

InChIKey

UXGFTZFMDUXIPU-UHFFFAOYSA-N

Compound name

3-amino-6-methoxy-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	135.3
[M+Na]+	201.06345	144.8
[M-H]-	177.06695	137.4
[M+NH4]+	196.10805	156.2
[M+K]+	217.03739	141.4
[M+H-H2O]+	161.07149	129.6
[M+HCOO]-	223.07243	157.3
[M+CH3COO]-	237.08808	180.1
[M+Na-2H]-	199.04890	140.1
[M]+	178.07368	133.6
[M]-	178.07478	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe