CID 70335

3-methyl-1-phenyl-1h-pyrazol-5-ol

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=CC(=O)N(N1)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3
InChIKey
KZQYIMCESJLPQH-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

646
References

11467
Patents

174.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 134.6
[M+Na]+ 197.06854 144.7
[M-H]- 173.07204 138.2
[M+NH4]+ 192.11314 153.6
[M+K]+ 213.04248 140.7
[M+H-H2O]+ 157.07658 127.3
[M+HCOO]- 219.07752 157.5
[M+CH3COO]- 233.09317 148.4
[M+Na-2H]- 195.05399 140.4
[M]+ 174.07877 133.8
[M]- 174.07987 133.8
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