CID 605366

3-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-5-one hydrochloride

Structural Information

Molecular Formula
C10H10N2O2
SMILES
COC1=CC=C(C=C1)C2=NNC(=O)C2
InChI
InChI=1S/C10H10N2O2/c1-14-8-4-2-7(3-5-8)9-6-10(13)12-11-9/h2-5H,6H2,1H3,(H,12,13)
InChIKey
QOOURZOOVQWRCB-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

190.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 139.0
[M+Na]+ 213.06345 147.9
[M-H]- 189.06695 142.2
[M+NH4]+ 208.10805 157.0
[M+K]+ 229.03739 144.7
[M+H-H2O]+ 173.07149 131.4
[M+HCOO]- 235.07243 160.6
[M+CH3COO]- 249.08808 178.5
[M+Na-2H]- 211.04890 143.7
[M]+ 190.07368 138.1
[M]- 190.07478 138.1
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

patents stripe