CID 59765867

5-tert-butylpiperazin-2-one

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CC(C)(C)C1CNC(=O)CN1

InChI

InChI=1S/C8H16N2O/c1-8(2,3)6-4-10-7(11)5-9-6/h6,9H,4-5H2,1-3H3,(H,10,11)

InChIKey

JECVQBOCKVTYIS-UHFFFAOYSA-N

Compound name

5-tert-butylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 156.12627 Da
Monoisotopic Mass: 0.7
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]+	157.13355	136.9
[M+Na]+	179.11549	146.4
[M+NH4]+	174.16009	143.7
[M+K]+	195.08943	142.1
[M-H]-	155.11899	135.7
[M+Na-2H]-	177.10094	140.1
[M]+	156.12572	137.6
[M]-	156.12682	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe