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]+ 167.11789 136.8
[M+Na]+ 189.09983 144.3
[M-H]- 165.10333 140.8
[M+NH4]+ 184.14443 158.1
[M+K]+ 205.07377 142.8
[M+H-H2O]+ 149.10787 129.5
[M+HCOO]- 211.10881 157.8
[M+CH3COO]- 225.12446 177.2
[M+Na-2H]- 187.08528 137.8
[M]+ 166.11006 133.9
[M]- 166.11116 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