CID 639252

130506-85-3

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=NN2C(=C(C=NC2=C1)C(=O)C)C
InChI
InChI=1S/C10H11N3O/c1-6-4-10-11-5-9(8(3)14)7(2)13(10)12-6/h4-5H,1-3H3
InChIKey
MYWBEGOUWKJCEB-UHFFFAOYSA-N
Compound name
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

189.09021 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.4
[M+Na]+ 212.07943 151.7
[M-H]- 188.08293 141.2
[M+NH4]+ 207.12403 158.7
[M+K]+ 228.05337 148.6
[M+H-H2O]+ 172.08747 132.1
[M+HCOO]- 234.08841 161.2
[M+CH3COO]- 248.10406 185.1
[M+Na-2H]- 210.06488 145.2
[M]+ 189.08966 143.5
[M]- 189.09076 143.5
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