CID 155821694

2445793-41-7

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]+ 196.07167 139.4
[M+Na]+ 218.05361 149.9
[M+NH4]+ 213.09821 146.4
[M+K]+ 234.02755 151.5
[M-H]- 194.05711 141.5
[M+Na-2H]- 216.03906 144.0
[M]+ 195.06384 140.9
[M]- 195.06494 140.9
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.