CID 230544

1-decylpiperazine

Structural Information

Molecular Formula

C₁₄H₃₀N₂

SMILES

CCCCCCCCCCN1CCNCC1

InChI

InChI=1S/C14H30N2/c1-2-3-4-5-6-7-8-9-12-16-13-10-15-11-14-16/h15H,2-14H2,1H3

InChIKey

UUWUIWUPMVSNGJ-UHFFFAOYSA-N

Compound name

1-decylpiperazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 115
Patents: 226.2409 Da
Monoisotopic Mass: 4.1
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]+	227.24818	161.6
[M+Na]+	249.23012	163.3
[M-H]-	225.23362	158.6
[M+NH4]+	244.27472	176.1
[M+K]+	265.20406	159.8
[M+H-H2O]+	209.23816	153.2
[M+HCOO]-	271.23910	175.9
[M+CH3COO]-	285.25475	190.3
[M+Na-2H]-	247.21557	163.6
[M]+	226.24035	158.1
[M]-	226.24145	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe