CID 3048857

Brn 5741252

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC(=O)N1C2=CC=CC=C2C(=O)C13CC3

InChI

InChI=1S/C12H11NO2/c1-8(14)13-10-5-3-2-4-9(10)11(15)12(13)6-7-12/h2-5H,6-7H2,1H3

InChIKey

UKLGRUPDWDEOAH-UHFFFAOYSA-N

Compound name

1'-acetylspiro[cyclopropane-1,2'-indole]-3'-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 201.07898 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]+	202.08626	147.5
[M+Na]+	224.06820	161.2
[M+NH4]+	219.11280	158.1
[M+K]+	240.04214	156.1
[M-H]-	200.07170	156.4
[M+Na-2H]-	222.05365	156.1
[M]+	201.07843	153.2
[M]-	201.07953	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe