CID 3042070

59022-44-5

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

CCN1CCCC12C3=CC=CC=C3NC2=O

InChI

InChI=1S/C13H16N2O/c1-2-15-9-5-8-13(15)10-6-3-4-7-11(10)14-12(13)16/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,16)

InChIKey

MSIOJTCPQQGQJO-UHFFFAOYSA-N

Compound name

1'-ethylspiro[1H-indole-3,2'-pyrrolidine]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 216.12627 Da
Monoisotopic Mass: 1.6
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]+	217.13355	150.5
[M+Na]+	239.11549	159.2
[M-H]-	215.11899	153.4
[M+NH4]+	234.16009	172.8
[M+K]+	255.08943	154.5
[M+H-H2O]+	199.12353	143.8
[M+HCOO]-	261.12447	168.7
[M+CH3COO]-	275.14012	162.7
[M+Na-2H]-	237.10094	153.2
[M]+	216.12572	147.1
[M]-	216.12682	147.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.