CID 4152228

66266-83-9

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC1=NN(C(=O)C1NO)C2=CC=CC=C2
InChI
InChI=1S/C10H11N3O2/c1-7-9(12-15)10(14)13(11-7)8-5-3-2-4-6-8/h2-6,9,12,15H,1H3
InChIKey
YUFVPYWFFFVWSA-UHFFFAOYSA-N
Compound name
4-(hydroxyamino)-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 142.7
[M+Na]+ 228.074348 151.6
[M-H]- 204.077854 146.3
[M+NH4]+ 223.118953 160.1
[M+K]+ 244.048288 148.3
[M+H-H2O]+ 188.082390 135.0
[M+HCOO]- 250.083331 165.3
[M+CH3COO]- 264.098981 184.7
[M+Na-2H]- 226.059796 147.3
[M]+ 205.08458142 141.5
[M]- 205.08567858 141.5
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.