CID 3280850

1,5-diacetylindoline

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CC(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C

InChI

InChI=1S/C12H13NO2/c1-8(14)10-3-4-12-11(7-10)5-6-13(12)9(2)15/h3-4,7H,5-6H2,1-2H3

InChIKey

DDTZNSOMVMYKHA-UHFFFAOYSA-N

Compound name

1-(1-acetyl-2,3-dihydroindol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 203.09464 Da
Monoisotopic Mass: 1.0
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]+	204.10192	144.7
[M+Na]+	226.08386	156.1
[M+NH4]+	221.12846	152.7
[M+K]+	242.05780	152.4
[M-H]-	202.08736	145.4
[M+Na-2H]-	224.06931	148.7
[M]+	203.09409	146.3
[M]-	203.09519	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe