CID 54594482

6,6-dimethyl-1-(propan-2-yl)piperazin-2-one

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CC(C)N1C(=O)CNCC1(C)C

InChI

InChI=1S/C9H18N2O/c1-7(2)11-8(12)5-10-6-9(11,3)4/h7,10H,5-6H2,1-4H3

InChIKey

LNUPKYZXVGHSNU-UHFFFAOYSA-N

Compound name

6,6-dimethyl-1-propan-2-ylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 170.1419 Da
Monoisotopic Mass: 0.5
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]+	171.14918	140.7
[M+Na]+	193.13112	151.1
[M+NH4]+	188.17572	149.2
[M+K]+	209.10506	144.3
[M-H]-	169.13462	140.5
[M+Na-2H]-	191.11657	145.4
[M]+	170.14135	142.0
[M]-	170.14245	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe