CID 11615676

Schembl30666913

Structural Information

Molecular Formula

C₁₅H₁₇NO₂

SMILES

CCN1C2=CC=CC=C2C3(C1=O)CCC(=O)CC3

InChI

InChI=1S/C15H17NO2/c1-2-16-13-6-4-3-5-12(13)15(14(16)18)9-7-11(17)8-10-15/h3-6H,2,7-10H2,1H3

InChIKey

FUWNOQXPSHMYHR-UHFFFAOYSA-N

Compound name

1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 243.12593 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]+	244.133206	155.5
[M+Na]+	266.115148	163.9
[M-H]-	242.118654	160.7
[M+NH4]+	261.159753	177.0
[M+K]+	282.089088	159.5
[M+H-H2O]+	226.123190	148.6
[M+HCOO]-	288.124131	173.8
[M+CH3COO]-	302.139781	167.7
[M+Na-2H]-	264.100596	158.8
[M]+	243.12538142	152.8
[M]-	243.12647858	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe