CID 205897

18940-58-4

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C(C)C

InChI

InChI=1S/C12H22N2O2/c1-9(2)11(15)13-5-7-14(8-6-13)12(16)10(3)4/h9-10H,5-8H2,1-4H3

InChIKey

RHJOHGKHWICERH-UHFFFAOYSA-N

Compound name

2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 226.16812 Da
Monoisotopic Mass: 1.1
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]+	227.17540	154.7
[M+Na]+	249.15734	158.6
[M-H]-	225.16084	154.6
[M+NH4]+	244.20194	170.0
[M+K]+	265.13128	158.2
[M+H-H2O]+	209.16538	147.5
[M+HCOO]-	271.16632	168.3
[M+CH3COO]-	285.18197	192.5
[M+Na-2H]-	247.14279	153.1
[M]+	226.16757	151.8
[M]-	226.16867	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe