CID 135616765

1,2,3-cyclohexanetrione, trioxime

Structural Information

Molecular Formula
C6H9N3O3
SMILES
C1C/C(=N\O)/C(=NO)/C(=N\O)/C1
InChI
InChI=1S/C6H9N3O3/c10-7-4-2-1-3-5(8-11)6(4)9-12/h10-12H,1-3H2/b7-4-,8-5+,9-6?
InChIKey
GKXJWSZPLIKUPS-TWTOQFMASA-N
Compound name
N-[(2Z,6E)-2,6-bis(hydroxyimino)cyclohexylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

171.06439 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07167 134.2
[M+Na]+ 194.05361 141.6
[M+NH4]+ 189.09821 140.6
[M+K]+ 210.02755 137.7
[M-H]- 170.05711 135.6
[M+Na-2H]- 192.03906 137.8
[M]+ 171.06384 134.9
[M]- 171.06494 134.9
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