CID 3042076

59022-55-8

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

CCN1CCC2(CC1)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C14H18N2O/c1-2-16-9-7-14(8-10-16)11-5-3-4-6-12(11)15-13(14)17/h3-6H,2,7-10H2,1H3,(H,15,17)

InChIKey

NMQXSMRPHNDIOB-UHFFFAOYSA-N

Compound name

1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 230.1419 Da
Monoisotopic Mass: 1.5
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]+	231.14918	154.6
[M+Na]+	253.13112	161.9
[M-H]-	229.13462	156.7
[M+NH4]+	248.17572	174.4
[M+K]+	269.10506	156.8
[M+H-H2O]+	213.13916	146.8
[M+HCOO]-	275.14010	170.1
[M+CH3COO]-	289.15575	165.5
[M+Na-2H]-	251.11657	158.4
[M]+	230.14135	149.2
[M]-	230.14245	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe