CID 2898030

F0848-0068

Structural Information

Molecular Formula

C₁₇H₂₈N₂O₂

SMILES

CCN1CCN(CC1)C(=O)C23CCC(C2(C)C)(C(=O)C3)C

InChI

InChI=1S/C17H28N2O2/c1-5-18-8-10-19(11-9-18)14(21)17-7-6-16(4,13(20)12-17)15(17,2)3/h5-12H2,1-4H3

InChIKey

HDHOCXQWYZHQRP-UHFFFAOYSA-N

Compound name

4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 292.2151 Da
Monoisotopic Mass: 1.2
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]+	293.222376	170.3
[M+Na]+	315.204318	177.2
[M-H]-	291.207824	173.3
[M+NH4]+	310.248923	194.2
[M+K]+	331.178258	173.9
[M+H-H2O]+	275.212360	164.7
[M+HCOO]-	337.213301	183.4
[M+CH3COO]-	351.228951	202.5
[M+Na-2H]-	313.189766	170.0
[M]+	292.21455142	168.3
[M]-	292.21564858	168.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.