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

40
Patents

161.09529 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 132.5
[M+Na]+ 184.084508 145.4
[M-H]- 160.088014 134.4
[M+NH4]+ 179.129113 153.2
[M+K]+ 200.058448 142.2
[M+H-H2O]+ 144.092550 125.4
[M+HCOO]- 206.093491 155.3
[M+CH3COO]- 220.109141 147.3
[M+Na-2H]- 182.069956 140.0
[M]+ 161.09474142 136.2
[M]- 161.09583858 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