CID 11737525

571188-59-5

Structural Information

Molecular Formula

C₁₄H₂₂N₄O₂

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)N

InChI

InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11/h4-5,10H,6-9H2,1-3H3,(H2,15,16)

InChIKey

RMULRXHUNOVPEI-UHFFFAOYSA-N

Compound name

tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1066
Patents: 278.1743 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]+	279.18158	166.4
[M+Na]+	301.16352	176.5
[M+NH4]+	296.20812	171.9
[M+K]+	317.13746	172.3
[M-H]-	277.16702	167.5
[M+Na-2H]-	299.14897	171.4
[M]+	278.17375	167.8
[M]-	278.17485	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe