CID 135523675

Rezad 33

Structural Information

Molecular Formula

C₆H₄N₂O₄

SMILES

C\1=CC(=O)/C(=N/O)/C(=O)/C1=N\O

InChI

InChI=1S/C6H4N2O4/c9-4-2-1-3(7-11)6(10)5(4)8-12/h1-2,11-12H/b7-3-,8-5-

InChIKey

GRFONTIAJGGAHL-IPXBKODISA-N

Compound name

(2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 152
Patents: 168.0171 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.02438	129.0
[M+Na]+	191.00632	140.3
[M+NH4]+	186.05092	135.2
[M+K]+	206.98026	136.1
[M-H]-	167.00982	130.0
[M+Na-2H]-	188.99177	134.7
[M]+	168.01655	130.4
[M]-	168.01765	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe