CID 59486117

3-(1h-pyrazol-1-yl)cyclopentanone

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1CC(=O)CC1N2C=CC=N2
InChI
InChI=1S/C8H10N2O/c11-8-3-2-7(6-8)10-5-1-4-9-10/h1,4-5,7H,2-3,6H2
InChIKey
FPBNCNKYQFPLRA-UHFFFAOYSA-N
Compound name
3-pyrazol-1-ylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

150.07932 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.4
[M+Na]+ 173.06854 138.4
[M-H]- 149.07204 134.5
[M+NH4]+ 168.11314 152.1
[M+K]+ 189.04248 137.0
[M+H-H2O]+ 133.07658 123.0
[M+HCOO]- 195.07752 153.2
[M+CH3COO]- 209.09317 172.8
[M+Na-2H]- 171.05399 133.6
[M]+ 150.07877 128.2
[M]- 150.07987 128.2
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.