CID 13221039

1-(5-methyl-1h-pyrazol-4-yl)ethanone

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=C(C=NN1)C(=O)C
InChI
InChI=1S/C6H8N2O/c1-4-6(5(2)9)3-7-8-4/h3H,1-2H3,(H,7,8)
InChIKey
MITHGUSEVJOZDH-UHFFFAOYSA-N
Compound name
1-(5-methyl-1H-pyrazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

124.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 124.7
[M+Na]+ 147.05288 135.8
[M+NH4]+ 142.09748 132.1
[M+K]+ 163.02682 132.9
[M-H]- 123.05638 124.1
[M+Na-2H]- 145.03833 129.6
[M]+ 124.06311 125.8
[M]- 124.06421 125.8
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