CID 12355669

3-tert-butyl-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CC(C)(C)C1C2=CC=CC=C2NC1=O

InChI

InChI=1S/C12H15NO/c1-12(2,3)10-8-6-4-5-7-9(8)13-11(10)14/h4-7,10H,1-3H3,(H,13,14)

InChIKey

ZWUOJQIVHKBXQU-UHFFFAOYSA-N

Compound name

3-tert-butyl-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 189.11537 Da
Monoisotopic Mass: 2.5
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]+	190.122646	143.3
[M+Na]+	212.104588	152.1
[M-H]-	188.108094	145.5
[M+NH4]+	207.149193	164.5
[M+K]+	228.078528	148.4
[M+H-H2O]+	172.112630	138.2
[M+HCOO]-	234.113571	162.2
[M+CH3COO]-	248.129221	181.2
[M+Na-2H]-	210.090036	148.5
[M]+	189.11482142	142.1
[M]-	189.11591858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe