CID 3086439

Ns00122152

Structural Information

Molecular Formula
C4H8N2O3
SMILES
C(/C=N/O)[C@H](C=NO)O
InChI
InChI=1S/C4H8N2O3/c7-4(3-6-9)1-2-5-8/h2-4,7-9H,1H2/b5-2+,6-3?/t4-/m1/s1
InChIKey
QQXAFCDPTBXRHG-PCKVWFITSA-N
Compound name
(2R,4E)-1,4-bis(hydroxyimino)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.0535 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.060776 124.6
[M+Na]+ 155.042718 130.8
[M-H]- 131.046224 123.7
[M+NH4]+ 150.087323 145.0
[M+K]+ 171.016658 130.7
[M+H-H2O]+ 115.050760 119.3
[M+HCOO]- 177.051701 149.6
[M+CH3COO]- 191.067351 172.0
[M+Na-2H]- 153.028166 131.3
[M]+ 132.05295142 123.6
[M]- 132.05404858 123.6
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.