CID 52911276

2059944-58-8

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CC1(C2=C(C=CC(=C2)N)N(C1=O)C)C

InChI

InChI=1S/C11H14N2O/c1-11(2)8-6-7(12)4-5-9(8)13(3)10(11)14/h4-6H,12H2,1-3H3

InChIKey

KJJOSNCOZFAVSP-UHFFFAOYSA-N

Compound name

5-amino-1,3,3-trimethylindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 190.11061 Da
Monoisotopic Mass: 1.2
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]+	191.11789	139.6
[M+Na]+	213.09983	150.7
[M-H]-	189.10333	143.5
[M+NH4]+	208.14443	163.3
[M+K]+	229.07377	147.4
[M+H-H2O]+	173.10787	134.6
[M+HCOO]-	235.10881	162.3
[M+CH3COO]-	249.12446	187.2
[M+Na-2H]-	211.08528	144.4
[M]+	190.11006	139.8
[M]-	190.11116	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe