CID 17673

2749-59-9

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC1=NN(C(=O)C1)C
InChI
InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3H2,1-2H3
InChIKey
NDELSWXIAJLWOU-UHFFFAOYSA-N
Compound name
2,5-dimethyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

522
Patents

112.06366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 121.2
[M+Na]+ 135.05288 132.9
[M+NH4]+ 130.09748 129.2
[M+K]+ 151.02682 129.5
[M-H]- 111.05638 121.2
[M+Na-2H]- 133.03833 126.2
[M]+ 112.06311 122.6
[M]- 112.06421 122.6
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

patents stripe