CID 16775055

1214232-17-3

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

CC1=CC2=C(C=C1)NC(=O)C2N

InChI

InChI=1S/C9H10N2O/c1-5-2-3-7-6(4-5)8(10)9(12)11-7/h2-4,8H,10H2,1H3,(H,11,12)

InChIKey

FUHGCDMBTBHYJA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.07932 Da
Monoisotopic Mass: 0.3
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]+	163.08660	132.5
[M+Na]+	185.06854	142.1
[M-H]-	161.07204	134.6
[M+NH4]+	180.11314	154.2
[M+K]+	201.04248	138.2
[M+H-H2O]+	145.07658	127.0
[M+HCOO]-	207.07752	154.3
[M+CH3COO]-	221.09317	177.9
[M+Na-2H]-	183.05399	137.2
[M]+	162.07877	129.4
[M]-	162.07987	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe