CID 3611062

2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C9H11N3
SMILES
CC1=CC(=NC2=CC(=NN12)C)C
InChI
InChI=1S/C9H11N3/c1-6-4-8(3)12-9(10-6)5-7(2)11-12/h4-5H,1-3H3
InChIKey
CMVBAPBWJKFPEA-UHFFFAOYSA-N
Compound name
2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

161.09529 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10257 132.5
[M+Na]+ 184.08451 145.4
[M-H]- 160.08801 134.4
[M+NH4]+ 179.12911 153.2
[M+K]+ 200.05845 142.2
[M+H-H2O]+ 144.09255 125.4
[M+HCOO]- 206.09349 155.3
[M+CH3COO]- 220.10914 147.3
[M+Na-2H]- 182.06996 140.0
[M]+ 161.09474 136.2
[M]- 161.09584 136.2
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