CID 11011301

170911-92-9

Structural Information

Molecular Formula

C₁₅H₂₃N₃O₂

SMILES

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

InChI

InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11,16H2,1-3H3

InChIKey

RXFHRKPNLPBDGE-UHFFFAOYSA-N

Compound name

tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1363
Patents: 277.17902 Da
Monoisotopic Mass: 2.0
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]+	278.18630	166.8
[M+Na]+	300.16824	177.0
[M+NH4]+	295.21284	173.0
[M+K]+	316.14218	172.2
[M-H]-	276.17174	168.7
[M+Na-2H]-	298.15369	172.1
[M]+	277.17847	168.5
[M]-	277.17957	168.5

Literature stripe

literature stripe

Patent stripe

patents stripe