CID 57742770

2219379-11-8

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CC(C)(C)CN1CCNCC1=O

InChI

InChI=1S/C9H18N2O/c1-9(2,3)7-11-5-4-10-6-8(11)12/h10H,4-7H2,1-3H3

InChIKey

GTSCYEMWDOTJFH-UHFFFAOYSA-N

Compound name

1-(2,2-dimethylpropyl)piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 170.1419 Da
Monoisotopic Mass: 0.8
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	142.0
[M+Na]+	193.13112	147.6
[M-H]-	169.13462	140.7
[M+NH4]+	188.17572	159.2
[M+K]+	209.10506	145.7
[M+H-H2O]+	153.13916	135.6
[M+HCOO]-	215.14010	156.8
[M+CH3COO]-	229.15575	177.1
[M+Na-2H]-	191.11657	146.6
[M]+	170.14135	137.3
[M]-	170.14245	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe