CID 228934

14000-66-9

Structural Information

Molecular Formula

C₉H₁₈N₂O₃

SMILES

CCOC(=O)N1CCN(CC1)CCO

InChI

InChI=1S/C9H18N2O3/c1-2-14-9(13)11-5-3-10(4-6-11)7-8-12/h12H,2-8H2,1H3

InChIKey

MHBJYKMWVCDLPD-UHFFFAOYSA-N

Compound name

ethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 202.13174 Da
Monoisotopic Mass: -0.4
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]+	203.13902	147.4
[M+Na]+	225.12096	152.3
[M-H]-	201.12446	145.9
[M+NH4]+	220.16556	163.1
[M+K]+	241.09490	151.4
[M+H-H2O]+	185.12900	140.0
[M+HCOO]-	247.12994	163.4
[M+CH3COO]-	261.14559	181.1
[M+Na-2H]-	223.10641	150.2
[M]+	202.13119	145.4
[M]-	202.13229	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe