CID 86767721

3-cyclopentyl-1-methyl-4,5-dihydro-1h-pyrazol-5-one

Structural Information

Molecular Formula
C9H14N2O
SMILES
CN1C(=O)CC(=N1)C2CCCC2
InChI
InChI=1S/C9H14N2O/c1-11-9(12)6-8(10-11)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKey
BVTGKQZNXTYHFY-UHFFFAOYSA-N
Compound name
5-cyclopentyl-2-methyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

166.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 136.8
[M+Na]+ 189.099828 144.3
[M-H]- 165.103334 140.8
[M+NH4]+ 184.144433 158.1
[M+K]+ 205.073768 142.8
[M+H-H2O]+ 149.107870 129.5
[M+HCOO]- 211.108811 157.8
[M+CH3COO]- 225.124461 177.2
[M+Na-2H]- 187.085276 137.8
[M]+ 166.11006142 133.9
[M]- 166.11115858 133.9
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