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]+	202.086256	147.5
[M+Na]+	224.068198	159.4
[M-H]-	200.071704	154.1
[M+NH4]+	219.112803	165.8
[M+K]+	240.042138	155.5
[M+H-H2O]+	184.076240	141.9
[M+HCOO]-	246.077181	168.3
[M+CH3COO]-	260.092831	187.1
[M+Na-2H]-	222.053646	152.5
[M]+	201.07843142	150.6
[M]-	201.07952858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe