CID 61970537

5-amino-1-(6-methylpyridazin-3-yl)-1h-pyrazol-3-ol

Structural Information

Molecular Formula
C8H9N5O
SMILES
CC1=NN=C(C=C1)N2C(=CC(=O)N2)N
InChI
InChI=1S/C8H9N5O/c1-5-2-3-7(11-10-5)13-6(9)4-8(14)12-13/h2-4H,9H2,1H3,(H,12,14)
InChIKey
IBQYCLQZHDFFAP-UHFFFAOYSA-N
Compound name
3-amino-2-(6-methylpyridazin-3-yl)-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0807 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08798 140.2
[M+Na]+ 214.06992 151.2
[M-H]- 190.07342 141.2
[M+NH4]+ 209.11452 155.3
[M+K]+ 230.04386 146.7
[M+H-H2O]+ 174.07796 131.4
[M+HCOO]- 236.07890 161.3
[M+CH3COO]- 250.09455 152.7
[M+Na-2H]- 212.05537 145.5
[M]+ 191.08015 138.4
[M]- 191.08125 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.