CID 135418932

4-hydroxy-6-methyl-3-(1h-pyrazol-3-yl)-2h-pyran-2-one

Structural Information

Molecular Formula
C9H8N2O3
SMILES
CC1=CC(=C(C(=O)O1)C2=CC=NN2)O
InChI
InChI=1S/C9H8N2O3/c1-5-4-7(12)8(9(13)14-5)6-2-3-10-11-6/h2-4,12H,1H3,(H,10,11)
InChIKey
PTFCNBWCZAMULF-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methyl-3-(1H-pyrazol-5-yl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1331
References

0
Patents

192.0535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 137.0
[M+Na]+ 215.042718 147.9
[M-H]- 191.046224 140.4
[M+NH4]+ 210.087323 153.3
[M+K]+ 231.016658 145.2
[M+H-H2O]+ 175.050760 130.1
[M+HCOO]- 237.051701 158.1
[M+CH3COO]- 251.067351 176.2
[M+Na-2H]- 213.028166 142.7
[M]+ 192.05295142 137.8
[M]- 192.05404858 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.