CID 162345273

Ns00133326

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1=CC=C(C=C1)N2C(=O)C(=C(N2)CO)O
InChI
InChI=1S/C10H10N2O3/c13-6-8-9(14)10(15)12(11-8)7-4-2-1-3-5-7/h1-5,11,13-14H,6H2
InChIKey
KXXJUGCBDFYMHM-UHFFFAOYSA-N
Compound name
4-hydroxy-5-(hydroxymethyl)-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06914 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.9
[M+Na]+ 229.058358 151.7
[M-H]- 205.061864 143.1
[M+NH4]+ 224.102963 158.2
[M+K]+ 245.032298 147.1
[M+H-H2O]+ 189.066400 135.0
[M+HCOO]- 251.067341 162.1
[M+CH3COO]- 265.082991 176.7
[M+Na-2H]- 227.043806 146.0
[M]+ 206.06859142 140.6
[M]- 206.06968858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.