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

3
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]+ 193.06078 137.0
[M+Na]+ 215.04272 147.9
[M-H]- 191.04622 140.4
[M+NH4]+ 210.08732 153.3
[M+K]+ 231.01666 145.2
[M+H-H2O]+ 175.05076 130.1
[M+HCOO]- 237.05170 158.1
[M+CH3COO]- 251.06735 176.2
[M+Na-2H]- 213.02817 142.7
[M]+ 192.05295 137.8
[M]- 192.05405 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.