CID 7090

Phenidone

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CN(NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKey
CMCWWLVWPDLCRM-UHFFFAOYSA-N
Compound name
1-phenylpyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

209
References

22905
Patents

162.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 133.4
[M+Na]+ 185.06854 140.8
[M-H]- 161.07204 135.9
[M+NH4]+ 180.11314 152.2
[M+K]+ 201.04248 137.6
[M+H-H2O]+ 145.07658 125.8
[M+HCOO]- 207.07752 153.6
[M+CH3COO]- 221.09317 146.1
[M+Na-2H]- 183.05399 138.3
[M]+ 162.07877 128.9
[M]- 162.07987 128.9
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