CID 4739633

27612-67-5

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

C=CCN1CCN(CC1)CCO

InChI

InChI=1S/C9H18N2O/c1-2-3-10-4-6-11(7-5-10)8-9-12/h2,12H,1,3-9H2

InChIKey

OIIANXCKEGUVFK-UHFFFAOYSA-N

Compound name

2-(4-prop-2-enylpiperazin-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
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]+	171.149176	141.3
[M+Na]+	193.131118	146.4
[M-H]-	169.134624	139.6
[M+NH4]+	188.175723	158.3
[M+K]+	209.105058	144.0
[M+H-H2O]+	153.139160	134.1
[M+HCOO]-	215.140101	157.7
[M+CH3COO]-	229.155751	177.4
[M+Na-2H]-	191.116566	145.2
[M]+	170.14135142	137.2
[M]-	170.14244858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe