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]+ 178.097486 136.0
[M+Na]+ 200.079428 146.4
[M-H]- 176.082934 135.6
[M+NH4]+ 195.124033 154.5
[M+K]+ 216.053368 142.8
[M+H-H2O]+ 160.087470 128.2
[M+HCOO]- 222.088411 157.4
[M+CH3COO]- 236.104061 149.1
[M+Na-2H]- 198.064876 144.4
[M]+ 177.08966142 138.4
[M]- 177.09075858 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.