CID 736000

143673-66-9

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CC(C)[C@@H]1C(=O)NCC(=O)N1

InChI

InChI=1S/C7H12N2O2/c1-4(2)6-7(11)8-3-5(10)9-6/h4,6H,3H2,1-2H3,(H,8,11)(H,9,10)/t6-/m1/s1

InChIKey

IULFBTHVPRNQCG-ZCFIWIBFSA-N

Compound name

(3R)-3-propan-2-ylpiperazine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 156.08987 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]+	157.09715	134.8
[M+Na]+	179.07909	144.4
[M+NH4]+	174.12369	140.9
[M+K]+	195.05303	140.5
[M-H]-	155.08259	133.3
[M+Na-2H]-	177.06454	137.1
[M]+	156.08932	135.2
[M]-	156.09042	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe