CID 132300886

2137590-74-8

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CC(C)(C1=NC=C(C(=O)N1)OC)N

InChI

InChI=1S/C8H13N3O2/c1-8(2,9)7-10-4-5(13-3)6(12)11-7/h4H,9H2,1-3H3,(H,10,11,12)

InChIKey

VBWDOBAKQFVTSG-UHFFFAOYSA-N

Compound name

2-(2-aminopropan-2-yl)-5-methoxy-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 183.10077 Da
Monoisotopic Mass: -0.9
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]+	184.10805	139.9
[M+Na]+	206.08999	149.0
[M-H]-	182.09349	139.8
[M+NH4]+	201.13459	156.4
[M+K]+	222.06393	146.5
[M+H-H2O]+	166.09803	133.4
[M+HCOO]-	228.09897	160.1
[M+CH3COO]-	242.11462	181.3
[M+Na-2H]-	204.07544	146.7
[M]+	183.10022	139.2
[M]-	183.10132	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe