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

8
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 135.2
[M+Na]+ 173.06854 145.9
[M-H]- 149.07204 140.4
[M+NH4]+ 168.11314 150.7
[M+K]+ 189.04248 142.9
[M+H-H2O]+ 133.07658 127.7
[M+HCOO]- 195.07752 158.0
[M+CH3COO]- 209.09317 179.0
[M+Na-2H]- 171.05399 139.6
[M]+ 150.07877 137.9
[M]- 150.07987 137.9
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