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

43
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 132.8
[M+Na]+ 184.08451 143.4
[M-H]- 160.08801 133.9
[M+NH4]+ 179.12911 152.7
[M+K]+ 200.05845 140.7
[M+H-H2O]+ 144.09255 125.0
[M+HCOO]- 206.09349 154.5
[M+CH3COO]- 220.10914 146.7
[M+Na-2H]- 182.06996 140.5
[M]+ 161.09474 135.0
[M]- 161.09584 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