CID 11658668

Schembl20066137

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

CN1C2=CC=CC=C2C3(C1=O)CCC(=O)CC3

InChI

InChI=1S/C14H15NO2/c1-15-12-5-3-2-4-11(12)14(13(15)17)8-6-10(16)7-9-14/h2-5H,6-9H2,1H3

InChIKey

UENSDENWNDIVAT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 229.11028 Da
Monoisotopic Mass: 1.0
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]+	230.11756	150.9
[M+Na]+	252.09950	159.8
[M-H]-	228.10300	156.3
[M+NH4]+	247.14410	173.0
[M+K]+	268.07344	155.6
[M+H-H2O]+	212.10754	144.2
[M+HCOO]-	274.10848	169.6
[M+CH3COO]-	288.12413	163.6
[M+Na-2H]-	250.08495	154.8
[M]+	229.10973	147.9
[M]-	229.11083	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe