CID 99683

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

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC=C(C=C1)N2C(=O)C=C(N2)N
InChI
InChI=1S/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-6,11H,10H2
InChIKey
PVKNQGWSRAGMNM-UHFFFAOYSA-N
Compound name
5-amino-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

352
Patents

175.07455 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 134.4
[M+Na]+ 198.063768 144.0
[M-H]- 174.067274 137.6
[M+NH4]+ 193.108373 152.6
[M+K]+ 214.037708 139.7
[M+H-H2O]+ 158.071810 126.8
[M+HCOO]- 220.072751 158.0
[M+CH3COO]- 234.088401 147.7
[M+Na-2H]- 196.049216 140.1
[M]+ 175.07400142 131.5
[M]- 175.07509858 131.5
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