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

literature stripe

Patent stripe

patents stripe