CID 301725

5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-ol

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=CC(=NC2=CC(=O)NN12)C
InChI
InChI=1S/C8H9N3O/c1-5-3-6(2)11-7(9-5)4-8(12)10-11/h3-4H,1-2H3,(H,10,12)
InChIKey
GTMSGUGXMUVWIS-UHFFFAOYSA-N
Compound name
5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

27
Patents

163.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 131.3
[M+Na]+ 186.06377 144.3
[M-H]- 162.06727 132.0
[M+NH4]+ 181.10837 151.1
[M+K]+ 202.03771 140.3
[M+H-H2O]+ 146.07181 124.5
[M+HCOO]- 208.07275 153.2
[M+CH3COO]- 222.08840 145.7
[M+Na-2H]- 184.04922 138.8
[M]+ 163.07400 133.5
[M]- 163.07510 133.5
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

patents stripe