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

3
Patents

138.07932 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 128.0
[M+Na]+ 161.068538 137.6
[M-H]- 137.072044 130.2
[M+NH4]+ 156.113143 151.9
[M+K]+ 177.042478 136.2
[M+H-H2O]+ 121.076580 122.0
[M+HCOO]- 183.077521 149.5
[M+CH3COO]- 197.093171 172.7
[M+Na-2H]- 159.053986 131.7
[M]+ 138.07877142 127.2
[M]- 138.07986858 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