CID 3048860

Brn 5747574

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

CC(=O)N1C2=C(C=C(C=C2)OC)C(=O)C13CC3

InChI

InChI=1S/C13H13NO3/c1-8(15)14-11-4-3-9(17-2)7-10(11)12(16)13(14)5-6-13/h3-4,7H,5-6H2,1-2H3

InChIKey

NJRZMKTYHFMMFD-UHFFFAOYSA-N

Compound name

1'-acetyl-5'-methoxyspiro[cyclopropane-1,2'-indole]-3'-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 231.08954 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]+	232.096816	154.6
[M+Na]+	254.078758	166.8
[M-H]-	230.082264	161.4
[M+NH4]+	249.123363	172.0
[M+K]+	270.052698	163.0
[M+H-H2O]+	214.086800	149.2
[M+HCOO]-	276.087741	175.1
[M+CH3COO]-	290.103391	193.1
[M+Na-2H]-	252.064206	158.7
[M]+	231.08899142	160.0
[M]-	231.09008858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe