CID 478123

91691-91-7

Structural Information

Molecular Formula

C₁₂H₂₁N₃O₂

SMILES

CCC(C)OC1=NC(=NC(=C1)N)OC(C)CC

InChI

InChI=1S/C12H21N3O2/c1-5-8(3)16-11-7-10(13)14-12(15-11)17-9(4)6-2/h7-9H,5-6H2,1-4H3,(H2,13,14,15)

InChIKey

PYJCXRJFSJTQMZ-UHFFFAOYSA-N

Compound name

2,6-di(butan-2-yloxy)pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 239.16338 Da
Monoisotopic Mass: 3.1
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]+	240.17066	157.7
[M+Na]+	262.15260	164.3
[M-H]-	238.15610	158.1
[M+NH4]+	257.19720	172.5
[M+K]+	278.12654	163.0
[M+H-H2O]+	222.16064	149.6
[M+HCOO]-	284.16158	177.6
[M+CH3COO]-	298.17723	198.1
[M+Na-2H]-	260.13805	159.8
[M]+	239.16283	160.4
[M]-	239.16393	160.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.