CID 62727270

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

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC(=O)C1=CN(N=C1)C2CCCC2
InChI
InChI=1S/C10H14N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3
InChIKey
RCUISZZKUWQPJX-UHFFFAOYSA-N
Compound name
1-(1-cyclopentylpyrazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 140.0
[M+Na]+ 201.09983 146.9
[M-H]- 177.10333 144.0
[M+NH4]+ 196.14443 160.6
[M+K]+ 217.07377 145.5
[M+H-H2O]+ 161.10787 132.4
[M+HCOO]- 223.10881 161.2
[M+CH3COO]- 237.12446 179.6
[M+Na-2H]- 199.08528 141.0
[M]+ 178.11006 137.9
[M]- 178.11116 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

No patent data available for this compound.