CID 20801972

2-methyl-2h,3h,3ah,4h,5h,6h-cyclopenta[c]pyrazol-3-one

Structural Information

Molecular Formula
C7H10N2O
SMILES
CN1C(=O)C2CCCC2=N1
InChI
InChI=1S/C7H10N2O/c1-9-7(10)5-3-2-4-6(5)8-9/h5H,2-4H2,1H3
InChIKey
SZJOVSKMLWQCDT-UHFFFAOYSA-N
Compound name
2-methyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

138.07932 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 128.0
[M+Na]+ 161.06854 137.6
[M-H]- 137.07204 130.2
[M+NH4]+ 156.11314 151.9
[M+K]+ 177.04248 136.2
[M+H-H2O]+ 121.07658 122.0
[M+HCOO]- 183.07752 149.5
[M+CH3COO]- 197.09317 172.7
[M+Na-2H]- 159.05399 131.7
[M]+ 138.07877 127.2
[M]- 138.07987 127.2
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

patents stripe