CID 11600758

5-(4-aminophenyl)-2,3-dihydro-1h-pyrazol-3-one

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC(=CC=C1C2=CC(=O)NN2)N
InChI
InChI=1S/C9H9N3O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-5H,10H2,(H2,11,12,13)
InChIKey
CCALUSHDADKUJA-UHFFFAOYSA-N
Compound name
5-(4-aminophenyl)-1,2-dihydropyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 135.8
[M+Na]+ 198.06377 147.9
[M+NH4]+ 193.10837 143.1
[M+K]+ 214.03771 144.3
[M-H]- 174.06727 137.8
[M+Na-2H]- 196.04922 143.0
[M]+ 175.07400 137.8
[M]- 175.07510 137.8
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

No patent data available for this compound.