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: 0
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]+	255.206706	164.9
[M+Na]+	277.188648	168.3
[M-H]-	253.192154	164.1
[M+NH4]+	272.233253	179.1
[M+K]+	293.162588	166.4
[M+H-H2O]+	237.196690	156.8
[M+HCOO]-	299.197631	179.7
[M+CH3COO]-	313.213281	196.7
[M+Na-2H]-	275.174096	164.4
[M]+	254.19888142	163.9
[M]-	254.19997858	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe