CID 125454288

1-(pyridin-3-yl)-1h-pyrazol-3-ol

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC(=CN=C1)N2C=CC(=O)N2
InChI
InChI=1S/C8H7N3O/c12-8-3-5-11(10-8)7-2-1-4-9-6-7/h1-6H,(H,10,12)
InChIKey
UZXLUDUFKVMMDC-UHFFFAOYSA-N
Compound name
2-pyridin-3-yl-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

161.05891 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 130.3
[M+Na]+ 184.048128 140.3
[M-H]- 160.051634 132.3
[M+NH4]+ 179.092733 148.0
[M+K]+ 200.022068 136.6
[M+H-H2O]+ 144.056170 122.0
[M+HCOO]- 206.057111 152.4
[M+CH3COO]- 220.072761 143.7
[M+Na-2H]- 182.033576 137.7
[M]+ 161.05836142 128.8
[M]- 161.05945858 128.8
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