CID 6399496

2,6-bis(hydroxyimino)cyclohexan-1-one

Structural Information

Molecular Formula
C6H8N2O3
SMILES
C1C/C(=N\O)/C(=O)/C(=N\O)/C1
InChI
InChI=1S/C6H8N2O3/c9-6-4(7-10)2-1-3-5(6)8-11/h10-11H,1-3H2/b7-4-,8-5+
InChIKey
MLAWCOBYMMKWMA-DKBJKEKUSA-N
Compound name
(2Z,6E)-2,6-bis(hydroxyimino)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

156.0535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 127.9
[M+Na]+ 179.042718 134.5
[M-H]- 155.046224 131.5
[M+NH4]+ 174.087323 148.2
[M+K]+ 195.016658 133.6
[M+H-H2O]+ 139.050760 122.2
[M+HCOO]- 201.051701 152.3
[M+CH3COO]- 215.067351 177.7
[M+Na-2H]- 177.028166 134.0
[M]+ 156.05295142 123.7
[M]- 156.05404858 123.7
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

patents stripe