CID 68250376

Schembl12337454

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₃

SMILES

CCN1CCN(C(C1)CO)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H24N2O3/c1-5-13-6-7-14(10(8-13)9-15)11(16)17-12(2,3)4/h10,15H,5-9H2,1-4H3

InChIKey

MURNASUNJKYDKB-UHFFFAOYSA-N

Compound name

tert-butyl 4-ethyl-2-(hydroxymethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 244.1787 Da
Monoisotopic Mass: 0.7
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]+	245.185976	160.7
[M+Na]+	267.167918	165.8
[M-H]-	243.171424	159.6
[M+NH4]+	262.212523	175.3
[M+K]+	283.141858	164.7
[M+H-H2O]+	227.175960	154.0
[M+HCOO]-	289.176901	174.1
[M+CH3COO]-	303.192551	191.1
[M+Na-2H]-	265.153366	162.2
[M]+	244.17815142	159.7
[M]-	244.17924858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe