CID 10192567

596844-18-7

Structural Information

Molecular Formula
C6H6N2O
SMILES
C1CC(=O)C2=C1NN=C2
InChI
InChI=1S/C6H6N2O/c9-6-2-1-5-4(6)3-7-8-5/h3H,1-2H2,(H,7,8)
InChIKey
FBAMWFMIJZIVKS-UHFFFAOYSA-N
Compound name
5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

122.04801 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 122.2
[M+Na]+ 145.03723 131.9
[M-H]- 121.04073 123.2
[M+NH4]+ 140.08183 145.8
[M+K]+ 161.01117 129.8
[M+H-H2O]+ 105.04527 116.3
[M+HCOO]- 167.04621 144.1
[M+CH3COO]- 181.06186 136.5
[M+Na-2H]- 143.02268 127.7
[M]+ 122.04746 120.2
[M]- 122.04856 120.2
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