CID 178199938

Tert-butyl 4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₁N₅O₃

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NOC(=N2)CN

InChI

InChI=1S/C12H21N5O3/c1-12(2,3)19-11(18)17-6-4-16(5-7-17)10-14-9(8-13)20-15-10/h4-8,13H2,1-3H3

InChIKey

URTPIXWFHYGFET-UHFFFAOYSA-N

Compound name

tert-butyl 4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.16443 Da
Monoisotopic Mass: 0.1
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]+	284.171706	168.8
[M+Na]+	306.153648	174.6
[M-H]-	282.157154	170.2
[M+NH4]+	301.198253	179.1
[M+K]+	322.127588	173.9
[M+H-H2O]+	266.161690	159.4
[M+HCOO]-	328.162631	182.7
[M+CH3COO]-	342.178281	199.6
[M+Na-2H]-	304.139096	170.7
[M]+	283.16388142	167.6
[M]-	283.16497858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.