CID 39372804

1181972-47-3

Structural Information

Molecular Formula

C₁₃H₂₇N₃O₃

SMILES

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

InChI

InChI=1S/C13H27N3O3/c1-13(2,3)19-12(17)16-7-5-15(6-8-16)9-11-18-10-4-14/h4-11,14H2,1-3H3

InChIKey

IJKLSZPPVGIAHR-UHFFFAOYSA-N

Compound name

tert-butyl 4-[2-(2-aminoethoxy)ethyl]piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 273.20523 Da
Monoisotopic Mass: -0.2
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]+	274.212506	169.0
[M+Na]+	296.194448	172.2
[M-H]-	272.197954	168.0
[M+NH4]+	291.239053	182.1
[M+K]+	312.168388	171.3
[M+H-H2O]+	256.202490	161.1
[M+HCOO]-	318.203431	184.0
[M+CH3COO]-	332.219081	199.8
[M+Na-2H]-	294.179896	170.5
[M]+	273.20468142	168.0
[M]-	273.20577858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe