CID 11105470

2408958-26-7

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CC1CNC(C(=O)N1)(C)C

InChI

InChI=1S/C7H14N2O/c1-5-4-8-7(2,3)6(10)9-5/h5,8H,4H2,1-3H3,(H,9,10)

InChIKey

OSFQJQZVDCSSOV-UHFFFAOYSA-N

Compound name

3,3,6-trimethylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 142.11061 Da
Monoisotopic Mass: -0.1
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]+	143.11789	132.0
[M+Na]+	165.09983	139.5
[M-H]-	141.10333	130.2
[M+NH4]+	160.14443	151.9
[M+K]+	181.07377	137.0
[M+H-H2O]+	125.10787	126.8
[M+HCOO]-	187.10881	147.7
[M+CH3COO]-	201.12446	169.5
[M+Na-2H]-	163.08528	137.0
[M]+	142.11006	126.0
[M]-	142.11116	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe