CID 2756447

717904-39-7

Structural Information

Molecular Formula

C₈H₁₇N₃O₂

SMILES

C1CN(CCN1CCO)C(=O)CN

InChI

InChI=1S/C8H17N3O2/c9-7-8(13)11-3-1-10(2-4-11)5-6-12/h12H,1-7,9H2

InChIKey

CRGPFSKJVSLVKK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 187.13208 Da
Monoisotopic Mass: -2.1
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]+	188.139356	144.2
[M+Na]+	210.121298	148.6
[M-H]-	186.124804	142.3
[M+NH4]+	205.165903	159.8
[M+K]+	226.095238	147.0
[M+H-H2O]+	170.129340	136.7
[M+HCOO]-	232.130281	160.6
[M+CH3COO]-	246.145931	181.0
[M+Na-2H]-	208.106746	146.7
[M]+	187.13153142	138.6
[M]-	187.13262858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe