CID 3048862

Brn 5556009

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

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

InChI

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

InChIKey

JRVKLOZKVLCADU-UHFFFAOYSA-N

Compound name

ethyl 3'-oxospiro[cyclopropane-1,2'-indole]-1'-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 231.08954 Da
Monoisotopic Mass: 2.0
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]+	232.096816	155.6
[M+Na]+	254.078758	167.0
[M-H]-	230.082264	162.1
[M+NH4]+	249.123363	172.7
[M+K]+	270.052698	163.3
[M+H-H2O]+	214.086800	149.9
[M+HCOO]-	276.087741	176.2
[M+CH3COO]-	290.103391	191.4
[M+Na-2H]-	252.064206	160.2
[M]+	231.08899142	160.5
[M]-	231.09008858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe