CID 205870

Piperazine, 1,4-divaleryl-

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₂

SMILES

CCCCC(=O)N1CCN(CC1)C(=O)CCCC

InChI

InChI=1S/C14H26N2O2/c1-3-5-7-13(17)15-9-11-16(12-10-15)14(18)8-6-4-2/h3-12H2,1-2H3

InChIKey

VWMJEUOSPRHDCO-UHFFFAOYSA-N

Compound name

1-(4-pentanoylpiperazin-1-yl)pentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 254.19943 Da
Monoisotopic Mass: 1.7
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]+	255.20671	164.7
[M+Na]+	277.18865	173.2
[M+NH4]+	272.23325	170.2
[M+K]+	293.16259	167.7
[M-H]-	253.19215	163.7
[M+Na-2H]-	275.17410	166.3
[M]+	254.19888	165.1
[M]-	254.19998	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe