CID 15525654

2h,4h,6h-furo[3,4-c]pyrazol-6-one

Structural Information

Molecular Formula
C5H4N2O2
SMILES
C1C2=C(C(=O)O1)NN=C2
InChI
InChI=1S/C5H4N2O2/c8-5-4-3(2-9-5)1-6-7-4/h1H,2H2,(H,6,7)
InChIKey
PHNPUYVDCUKBCL-UHFFFAOYSA-N
Compound name
1,4-dihydrofuro[3,4-c]pyrazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

124.027275 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03455 119.6
[M+Na]+ 147.01649 129.7
[M-H]- 123.02000 121.3
[M+NH4]+ 142.06110 141.8
[M+K]+ 162.99043 129.2
[M+H-H2O]+ 107.02454 114.1
[M+HCOO]- 169.02548 141.0
[M+CH3COO]- 183.04113 134.3
[M+Na-2H]- 145.00194 126.4
[M]+ 124.02673 119.3
[M]- 124.02782 119.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe