CID 135404120

2,3-butanedione, dioxime, disodium salt

Structural Information

Molecular Formula
C4H7N2O2
SMILES
C/C(=N\O)/C(=N/[O-])/C
InChI
InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3/p-1/b5-3+,6-4+
InChIKey
JGUQDUKBUKFFRO-GGWOSOGESA-M
Compound name
(NE)-N-[(3E)-3-oxidoiminobutan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

89
References

8408
Patents

115.05075 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.05803 122.1
[M+Na]+ 138.03997 130.0
[M+NH4]+ 133.08457 128.5
[M+K]+ 154.01391 127.6
[M-H]- 114.04347 121.2
[M+Na-2H]- 136.02542 124.6
[M]+ 115.05020 122.1
[M]- 115.05130 122.1
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.