CID 3048936

Brn 0916922

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

CC(=O)N1CC2(CCN(C2)C)C3=CC=CC=C31

InChI

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

InChIKey

NFKVONBKZSTPAZ-UHFFFAOYSA-N

Compound name

1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 230.1419 Da
Monoisotopic Mass: 1.3
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	155.2
[M+Na]+	253.13112	163.6
[M-H]-	229.13462	159.4
[M+NH4]+	248.17572	177.6
[M+K]+	269.10506	160.1
[M+H-H2O]+	213.13916	148.2
[M+HCOO]-	275.14010	173.5
[M+CH3COO]-	289.15575	167.5
[M+Na-2H]-	251.11657	156.5
[M]+	230.14135	153.2
[M]-	230.14245	153.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.