CID 96590877

1-(1-benzyl-1h-pyrazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC(=O)C1=CC=NN1CC2=CC=CC=C2
InChI
InChI=1S/C12H12N2O/c1-10(15)12-7-8-13-14(12)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey
WJNPQIHFGLHIDL-UHFFFAOYSA-N
Compound name
1-(2-benzylpyrazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 144.3
[M+Na]+ 223.08418 157.8
[M+NH4]+ 218.12878 152.4
[M+K]+ 239.05812 152.8
[M-H]- 199.08768 147.0
[M+Na-2H]- 221.06963 152.7
[M]+ 200.09441 146.9
[M]- 200.09551 146.9
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

No patent data available for this compound.