CID 59747998

2-(propan-2-yl)pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

CC(C)C1=NN2C=CC=NC2=C1

InChI

InChI=1S/C9H11N3/c1-7(2)8-6-9-10-4-3-5-12(9)11-8/h3-7H,1-2H3

InChIKey

XHAPOMYFZRSLTE-UHFFFAOYSA-N

Compound name

2-propan-2-ylpyrazolo[1,5-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 161.09529 Da
Monoisotopic Mass: 1.5
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]+	162.10257	132.4
[M+Na]+	184.08451	146.6
[M+NH4]+	179.12911	141.0
[M+K]+	200.05845	141.8
[M-H]-	160.08801	133.5
[M+Na-2H]-	182.06996	139.7
[M]+	161.09474	134.7
[M]-	161.09584	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe