CID 22382692

1-(6-aminoindolin-1-yl)propan-1-one

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CCC(=O)N1CCC2=C1C=C(C=C2)N

InChI

InChI=1S/C11H14N2O/c1-2-11(14)13-6-5-8-3-4-9(12)7-10(8)13/h3-4,7H,2,5-6,12H2,1H3

InChIKey

SGAIHXQUGMRBEB-UHFFFAOYSA-N

Compound name

1-(6-amino-2,3-dihydroindol-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.11061 Da
Monoisotopic Mass: 1.1
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]+	191.117886	142.1
[M+Na]+	213.099828	150.1
[M-H]-	189.103334	145.0
[M+NH4]+	208.144433	163.1
[M+K]+	229.073768	147.2
[M+H-H2O]+	173.107870	135.8
[M+HCOO]-	235.108811	163.8
[M+CH3COO]-	249.124461	185.5
[M+Na-2H]-	211.085276	145.7
[M]+	190.11006142	140.4
[M]-	190.11115858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe