CID 84716419

1-(1-cyclopropyl-1h-pyrazol-4-yl)ethan-1-one

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC(=O)C1=CN(N=C1)C2CC2
InChI
InChI=1S/C8H10N2O/c1-6(11)7-4-9-10(5-7)8-2-3-8/h4-5,8H,2-3H2,1H3
InChIKey
BDEMECOBXJJMIC-UHFFFAOYSA-N
Compound name
1-(1-cyclopropylpyrazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

150.07932 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 134.4
[M+Na]+ 173.06854 147.3
[M+NH4]+ 168.11314 142.8
[M+K]+ 189.04248 144.9
[M-H]- 149.07204 142.5
[M+Na-2H]- 171.05399 142.9
[M]+ 150.07877 139.4
[M]- 150.07987 139.4
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