CID 130019492

Ns00117159

Structural Information

Molecular Formula

C₁₀H₁₄N₄O

SMILES

CCCCC1=NC2=C(C=NN2C(=C1)N)O

InChI

InChI=1S/C10H14N4O/c1-2-3-4-7-5-9(11)14-10(13-7)8(15)6-12-14/h5-6,15H,2-4,11H2,1H3

InChIKey

VKRWZFFYDXRJLG-UHFFFAOYSA-N

Compound name

7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.11676 Da
Monoisotopic Mass: 1.4
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]+	207.12404	145.2
[M+Na]+	229.10598	156.1
[M-H]-	205.10948	145.1
[M+NH4]+	224.15058	162.6
[M+K]+	245.07992	151.9
[M+H-H2O]+	189.11402	137.6
[M+HCOO]-	251.11496	166.7
[M+CH3COO]-	265.13061	186.9
[M+Na-2H]-	227.09143	151.2
[M]+	206.11621	147.1
[M]-	206.11731	147.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.