CID 61147244

2-(propan-2-yloxy)pyrimidin-5-amine

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CC(C)OC1=NC=C(C=N1)N

InChI

InChI=1S/C7H11N3O/c1-5(2)11-7-9-3-6(8)4-10-7/h3-5H,8H2,1-2H3

InChIKey

MZYXOBFXZUGSPW-UHFFFAOYSA-N

Compound name

2-propan-2-yloxypyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 153.09021 Da
Monoisotopic Mass: 0.6
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]+	154.09749	131.8
[M+Na]+	176.07943	140.0
[M-H]-	152.08293	132.6
[M+NH4]+	171.12403	149.9
[M+K]+	192.05337	138.8
[M+H-H2O]+	136.08747	124.5
[M+HCOO]-	198.08841	154.1
[M+CH3COO]-	212.10406	178.8
[M+Na-2H]-	174.06488	138.5
[M]+	153.08966	131.5
[M]-	153.09076	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe