CID 736199

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

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=CC2=NC(=CC(=O)N2N1)C
InChI
InChI=1S/C8H9N3O/c1-5-4-8(12)11-7(9-5)3-6(2)10-11/h3-4,10H,1-2H3
InChIKey
LGQMDCIHBYTQJU-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

439
Patents

163.07455 Da
Monoisotopic Mass

0.4
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