CID 57586038

1-(oxan-3-yl)piperazine

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

C1CC(COC1)N2CCNCC2

InChI

InChI=1S/C9H18N2O/c1-2-9(8-12-7-1)11-5-3-10-4-6-11/h9-10H,1-8H2

InChIKey

NECAOEAZNSQZNA-UHFFFAOYSA-N

Compound name

1-(oxan-3-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 170.1419 Da
Monoisotopic Mass: 0.0
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]+	171.14918	141.4
[M+Na]+	193.13112	151.8
[M+NH4]+	188.17572	149.8
[M+K]+	209.10506	145.8
[M-H]-	169.13462	145.1
[M+Na-2H]-	191.11657	146.4
[M]+	170.14135	143.7
[M]-	170.14245	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe