CID 142562

3h-pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-

Structural Information

Molecular Formula
C10H10N2O
SMILES
CN1C(=O)CC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2O/c1-12-10(13)7-9(11-12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
NIXIJMXBXHWPEK-UHFFFAOYSA-N
Compound name
2-methyl-5-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

127
Patents

174.07932 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 135.2
[M+Na]+ 197.06854 144.7
[M-H]- 173.07204 139.7
[M+NH4]+ 192.11314 154.7
[M+K]+ 213.04248 141.9
[M+H-H2O]+ 157.07658 127.5
[M+HCOO]- 219.07752 158.1
[M+CH3COO]- 233.09317 179.0
[M+Na-2H]- 195.05399 140.4
[M]+ 174.07877 134.8
[M]- 174.07987 134.8
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

No patent data available for this compound.