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
5
Annotation Hits

88
References

7161
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 121.5
[M+Na]+ 138.03997 128.1
[M-H]- 114.04347 121.9
[M+NH4]+ 133.08457 143.4
[M+K]+ 154.01391 129.9
[M+H-H2O]+ 98.048010 118.7
[M+HCOO]- 160.04895 147.7
[M+CH3COO]- 174.06460 172.4
[M+Na-2H]- 136.02542 126.9
[M]+ 115.05020 120.0
[M]- 115.05130 120.0
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.