CID 639252

130506-85-3

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CC1=NN2C(=C(C=NC2=C1)C(=O)C)C

InChI

InChI=1S/C10H11N3O/c1-6-4-10-11-5-9(8(3)14)7(2)13(10)12-6/h4-5H,1-3H3

InChIKey

MYWBEGOUWKJCEB-UHFFFAOYSA-N

Compound name

1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 6
Patents: 189.09021 Da
Monoisotopic Mass: 0.8
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]+	190.09749	139.7
[M+Na]+	212.07943	154.0
[M+NH4]+	207.12403	147.3
[M+K]+	228.05337	149.9
[M-H]-	188.08293	140.2
[M+Na-2H]-	210.06488	145.7
[M]+	189.08966	141.8
[M]-	189.09076	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe