CID 605360

485317-15-5

Structural Information

Molecular Formula
C10H10N2O2
SMILES
COC1=CC=CC=C1C2=CC(=O)NN2
InChI
InChI=1S/C10H10N2O2/c1-14-9-5-3-2-4-7(9)8-6-10(13)12-11-8/h2-6H,1H3,(H2,11,12,13)
InChIKey
RAIREIYMNYIWBY-UHFFFAOYSA-N
Compound name
5-(2-methoxyphenyl)-1,2-dihydropyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 138.4
[M+Na]+ 213.06345 147.9
[M-H]- 189.06695 140.6
[M+NH4]+ 208.10805 155.8
[M+K]+ 229.03739 143.5
[M+H-H2O]+ 173.07149 131.1
[M+HCOO]- 235.07243 159.9
[M+CH3COO]- 249.08808 175.7
[M+Na-2H]- 211.04890 143.6
[M]+ 190.07368 137.1
[M]- 190.07478 137.1
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.