CID 21934614

436851-80-8

Structural Information

Molecular Formula

C₁₃H₂₁N₅O₂

SMILES

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

InChI

InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-8-10(14)15-9-16-11/h8-9H,4-7H2,1-3H3,(H2,14,15,16)

InChIKey

JOZCBLMCQBMONN-UHFFFAOYSA-N

Compound name

tert-butyl 4-(6-aminopyrimidin-4-yl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 279.16953 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]+	280.17681	169.9
[M+Na]+	302.15875	175.5
[M-H]-	278.16225	170.3
[M+NH4]+	297.20335	179.8
[M+K]+	318.13269	172.6
[M+H-H2O]+	262.16679	159.9
[M+HCOO]-	324.16773	183.3
[M+CH3COO]-	338.18338	200.4
[M+Na-2H]-	300.14420	173.2
[M]+	279.16898	166.2
[M]-	279.17008	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe