CID 6480488

Chembl458641

Structural Information

Molecular Formula

C₈H₁₆N₂O₃

SMILES

C1CN(CCN1CCO)C(=O)CO

InChI

InChI=1S/C8H16N2O3/c11-6-5-9-1-3-10(4-2-9)8(13)7-12/h11-12H,1-7H2

InChIKey

MLGKBQAGZVEOFZ-UHFFFAOYSA-N

Compound name

2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 188.11609 Da
Monoisotopic Mass: -1.8
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]+	189.12337	143.5
[M+Na]+	211.10531	148.3
[M-H]-	187.10881	140.7
[M+NH4]+	206.14991	158.9
[M+K]+	227.07925	146.7
[M+H-H2O]+	171.11335	136.5
[M+HCOO]-	233.11429	158.2
[M+CH3COO]-	247.12994	176.2
[M+Na-2H]-	209.09076	146.3
[M]+	188.11554	139.3
[M]-	188.11664	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe