CID 16217800

1-boc-4-(3-hydroxypropyl)piperazine

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCO

InChI

InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-8-6-13(7-9-14)5-4-10-15/h15H,4-10H2,1-3H3

InChIKey

LRYRQGKGCIUVON-UHFFFAOYSA-N

Compound name

tert-butyl 4-(3-hydroxypropyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 476
Patents: 244.1787 Da
Monoisotopic Mass: 0.6
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	161.2
[M+Na]+	267.167918	165.3
[M-H]-	243.171424	159.6
[M+NH4]+	262.212523	175.4
[M+K]+	283.141858	164.2
[M+H-H2O]+	227.175960	154.1
[M+HCOO]-	289.176901	174.6
[M+CH3COO]-	303.192551	189.8
[M+Na-2H]-	265.153366	163.3
[M]+	244.17815142	159.7
[M]-	244.17924858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe