CID 82184571

1023594-50-4

Structural Information

Molecular Formula

C₁₄H₂₂N₄O₂

SMILES

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

InChI

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

InChIKey

RVCAZUBHOCWAGY-UHFFFAOYSA-N

Compound name

tert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.1743 Da
Monoisotopic Mass: 1.0
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]+	279.181576	169.1
[M+Na]+	301.163518	174.2
[M-H]-	277.167024	170.7
[M+NH4]+	296.208123	180.4
[M+K]+	317.137458	171.4
[M+H-H2O]+	261.171560	159.7
[M+HCOO]-	323.172501	183.6
[M+CH3COO]-	337.188151	200.4
[M+Na-2H]-	299.148966	171.9
[M]+	278.17375142	165.3
[M]-	278.17484858	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.