CID 82123975

1267246-44-5

Structural Information

Molecular Formula

C₁₄H₂₈N₂O₃

SMILES

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

InChI

InChI=1S/C14H28N2O3/c1-14(2,3)19-13(18)16-10-8-15(9-11-16)7-5-4-6-12-17/h17H,4-12H2,1-3H3

InChIKey

AAALZLRQQQGASP-UHFFFAOYSA-N

Compound name

tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 272.21 Da
Monoisotopic Mass: 1.3
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]+	273.217276	170.1
[M+Na]+	295.199218	173.4
[M-H]-	271.202724	168.1
[M+NH4]+	290.243823	183.2
[M+K]+	311.173158	171.7
[M+H-H2O]+	255.207260	162.6
[M+HCOO]-	317.208201	182.8
[M+CH3COO]-	331.223851	195.8
[M+Na-2H]-	293.184666	171.2
[M]+	272.20945142	169.4
[M]-	272.21054858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe