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]+ 192.087976 140.2
[M+Na]+ 214.069918 151.2
[M-H]- 190.073424 141.2
[M+NH4]+ 209.114523 155.3
[M+K]+ 230.043858 146.7
[M+H-H2O]+ 174.077960 131.4
[M+HCOO]- 236.078901 161.3
[M+CH3COO]- 250.094551 152.7
[M+Na-2H]- 212.055366 145.5
[M]+ 191.08015142 138.4
[M]- 191.08124858 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.