CID 200627

2,3-piperazinedione, 1-butyl-

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

CCCCN1CCNC(=O)C1=O

InChI

InChI=1S/C8H14N2O2/c1-2-3-5-10-6-4-9-7(11)8(10)12/h2-6H2,1H3,(H,9,11)

InChIKey

WKOPXCHXDQPBAO-UHFFFAOYSA-N

Compound name

1-butylpiperazine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 170.10553 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]+	171.112806	138.1
[M+Na]+	193.094748	144.9
[M-H]-	169.098254	137.1
[M+NH4]+	188.139353	155.3
[M+K]+	209.068688	142.6
[M+H-H2O]+	153.102790	131.3
[M+HCOO]-	215.103731	155.3
[M+CH3COO]-	229.119381	176.8
[M+Na-2H]-	191.080196	141.9
[M]+	170.10498142	134.7
[M]-	170.10607858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe