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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.124036 145.2
[M+Na]+ 229.105978 156.1
[M-H]- 205.109484 145.1
[M+NH4]+ 224.150583 162.6
[M+K]+ 245.079918 151.9
[M+H-H2O]+ 189.114020 137.6
[M+HCOO]- 251.114961 166.7
[M+CH3COO]- 265.130611 186.9
[M+Na-2H]- 227.091426 151.2
[M]+ 206.11621142 147.1
[M]- 206.11730858 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.