CID 12773578

3-{pyrazolo[1,5-a]pyrimidin-6-yl}propan-1-ol

Structural Information

Molecular Formula
C9H11N3O
SMILES
C1=C2N=CC(=CN2N=C1)CCCO
InChI
InChI=1S/C9H11N3O/c13-5-1-2-8-6-10-9-3-4-11-12(9)7-8/h3-4,6-7,13H,1-2,5H2
InChIKey
UIEKGRSHIJATHQ-UHFFFAOYSA-N
Compound name
3-pyrazolo[1,5-a]pyrimidin-6-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 136.0
[M+Na]+ 200.07943 146.4
[M-H]- 176.08293 135.6
[M+NH4]+ 195.12403 154.5
[M+K]+ 216.05337 142.8
[M+H-H2O]+ 160.08747 128.2
[M+HCOO]- 222.08841 157.4
[M+CH3COO]- 236.10406 149.1
[M+Na-2H]- 198.06488 144.4
[M]+ 177.08966 138.4
[M]- 177.09076 138.4
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

No patent data available for this compound.