CID 644908

5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-ol

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CC1=CC2=NC(=CC(=O)N2N1)COC
InChI
InChI=1S/C9H11N3O2/c1-6-3-8-10-7(5-14-2)4-9(13)12(8)11-6/h3-4,11H,5H2,1-2H3
InChIKey
RSVRQCPLGMIUKG-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

301
Patents

193.08513 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 138.8
[M+Na]+ 216.074348 151.3
[M-H]- 192.077854 139.4
[M+NH4]+ 211.118953 157.3
[M+K]+ 232.048288 147.6
[M+H-H2O]+ 176.082390 131.7
[M+HCOO]- 238.083331 160.6
[M+CH3COO]- 252.098981 180.9
[M+Na-2H]- 214.059796 145.8
[M]+ 193.08458142 142.8
[M]- 193.08567858 142.8
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