CID 214244

27922-29-8

Structural Information

Molecular Formula

C₁₅H₁₉NO

SMILES

CC1=CC2=C(C=C1)C(=O)CC2N3CCCCC3

InChI

InChI=1S/C15H19NO/c1-11-5-6-12-13(9-11)14(10-15(12)17)16-7-3-2-4-8-16/h5-6,9,14H,2-4,7-8,10H2,1H3

InChIKey

MEJMCWUVTIQPHV-UHFFFAOYSA-N

Compound name

5-methyl-3-piperidin-1-yl-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.14667 Da
Monoisotopic Mass: 2.5
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]+	230.153946	153.6
[M+Na]+	252.135888	160.0
[M-H]-	228.139394	159.1
[M+NH4]+	247.180493	173.1
[M+K]+	268.109828	155.8
[M+H-H2O]+	212.143930	146.1
[M+HCOO]-	274.144871	171.5
[M+CH3COO]-	288.160521	165.3
[M+Na-2H]-	250.121336	155.1
[M]+	229.14612142	149.1
[M]-	229.14721858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.