CID 16217938

4-boc-1-(6-methyl-2-pyridyl)piperazine

Structural Information

Molecular Formula

C₁₅H₂₃N₃O₂

SMILES

CC1=NC(=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H23N3O2/c1-12-6-5-7-13(16-12)17-8-10-18(11-9-17)14(19)20-15(2,3)4/h5-7H,8-11H2,1-4H3

InChIKey

QEDVZUFNZJJSJL-UHFFFAOYSA-N

Compound name

tert-butyl 4-(6-methyl-2-pyridinyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 277.17902 Da
Monoisotopic Mass: 2.4
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]+	278.186296	169.0
[M+Na]+	300.168238	174.6
[M-H]-	276.171744	171.0
[M+NH4]+	295.212843	181.0
[M+K]+	316.142178	172.0
[M+H-H2O]+	260.176280	159.7
[M+HCOO]-	322.177221	182.7
[M+CH3COO]-	336.192871	199.0
[M+Na-2H]-	298.153686	171.8
[M]+	277.17847142	167.3
[M]-	277.17956858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe