CID 9578605

1,2,3-cyclopentatrione, 1,3-dioxime

Structural Information

Molecular Formula
C5H6N2O3
SMILES
C1/C(=N\O)/C(=O)/C(=N/O)/C1
InChI
InChI=1S/C5H6N2O3/c8-5-3(6-9)1-2-4(5)7-10/h9-10H,1-2H2/b6-3+,7-4+
InChIKey
HELXNKLADADCQF-XOKGJFMYSA-N
Compound name
(2E,5E)-2,5-bis(hydroxyimino)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.03784 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04512 123.6
[M+Na]+ 165.02706 131.4
[M-H]- 141.03056 127.7
[M+NH4]+ 160.07166 146.4
[M+K]+ 181.00100 130.7
[M+H-H2O]+ 125.03510 118.4
[M+HCOO]- 187.03604 150.5
[M+CH3COO]- 201.05169 174.3
[M+Na-2H]- 163.01251 129.2
[M]+ 142.03729 121.1
[M]- 142.03839 121.1
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

No patent data available for this compound.