CID 155821694

2-(4-nitro-1h-pyrazol-1-yl)cyclopentan-1-one

Structural Information

Molecular Formula
C8H9N3O3
SMILES
C1CC(C(=O)C1)N2C=C(C=N2)[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O3/c12-8-3-1-2-7(8)10-5-6(4-9-10)11(13)14/h4-5,7H,1-3H2
InChIKey
HBCDXYNRHAKPDR-UHFFFAOYSA-N
Compound name
2-(4-nitropyrazol-1-yl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06439 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 140.2
[M+Na]+ 218.053608 147.4
[M-H]- 194.057114 144.9
[M+NH4]+ 213.098213 159.2
[M+K]+ 234.027548 142.1
[M+H-H2O]+ 178.061650 137.3
[M+HCOO]- 240.062591 164.0
[M+CH3COO]- 254.078241 175.1
[M+Na-2H]- 216.039056 144.8
[M]+ 195.06384142 136.8
[M]- 195.06493858 136.8
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

No patent data available for this compound.