CID 22059494

26502-92-1

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1CC1C2=NNC(=O)C2
InChI
InChI=1S/C6H8N2O/c9-6-3-5(7-8-6)4-1-2-4/h4H,1-3H2,(H,8,9)
InChIKey
NDQDORROJIYSBZ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

124.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 128.4
[M+Na]+ 147.052878 138.8
[M-H]- 123.056384 132.1
[M+NH4]+ 142.097483 144.2
[M+K]+ 163.026818 135.2
[M+H-H2O]+ 107.060920 121.3
[M+HCOO]- 169.061861 149.8
[M+CH3COO]- 183.077511 170.2
[M+Na-2H]- 145.038326 133.5
[M]+ 124.06311142 127.8
[M]- 124.06420858 127.8
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