CID 206837

Cor 3759

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

C1CCN(CC1)C=C2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H15NO2/c17-14-11-6-2-3-7-12(11)15(18)13(14)10-16-8-4-1-5-9-16/h2-3,6-7,10H,1,4-5,8-9H2

InChIKey

YYXNNXOAGXJFSG-UHFFFAOYSA-N

Compound name

2-(piperidin-1-ylmethylidene)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 241.11028 Da
Monoisotopic Mass: 2.6
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]+	242.117556	154.6
[M+Na]+	264.099498	161.7
[M-H]-	240.103004	160.3
[M+NH4]+	259.144103	173.5
[M+K]+	280.073438	156.8
[M+H-H2O]+	224.107540	147.2
[M+HCOO]-	286.108481	173.2
[M+CH3COO]-	300.124131	191.0
[M+Na-2H]-	262.084946	156.3
[M]+	241.10973142	150.2
[M]-	241.11082858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe