CID 6482970

79491-89-7

Structural Information

Molecular Formula

C₈H₁₄N₂O₄

SMILES

C1CN(CCN1C(=O)CO)C(=O)CO

InChI

InChI=1S/C8H14N2O4/c11-5-7(13)9-1-2-10(4-3-9)8(14)6-12/h11-12H,1-6H2

InChIKey

DWYXBYXEDJCWBM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 202.09535 Da
Monoisotopic Mass: -2.3
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]+	203.10263	144.8
[M+Na]+	225.08457	149.6
[M-H]-	201.08807	142.2
[M+NH4]+	220.12917	159.5
[M+K]+	241.05851	148.5
[M+H-H2O]+	185.09261	137.9
[M+HCOO]-	247.09355	159.0
[M+CH3COO]-	261.10920	177.9
[M+Na-2H]-	223.07002	146.5
[M]+	202.09480	140.7
[M]-	202.09590	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe