CID 59747998

2-(propan-2-yl)pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C9H11N3
SMILES
CC(C)C1=NN2C=CC=NC2=C1
InChI
InChI=1S/C9H11N3/c1-7(2)8-6-9-10-4-3-5-12(9)11-8/h3-7H,1-2H3
InChIKey
XHAPOMYFZRSLTE-UHFFFAOYSA-N
Compound name
2-propan-2-ylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 132.8
[M+Na]+ 184.084508 143.4
[M-H]- 160.088014 133.9
[M+NH4]+ 179.129113 152.7
[M+K]+ 200.058448 140.7
[M+H-H2O]+ 144.092550 125.0
[M+HCOO]- 206.093491 154.5
[M+CH3COO]- 220.109141 146.7
[M+Na-2H]- 182.069956 140.5
[M]+ 161.09474142 135.0
[M]- 161.09583858 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe