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

13
Patents

168.0171 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02438 124.9
[M+Na]+ 191.00632 135.6
[M-H]- 167.00982 130.1
[M+NH4]+ 186.05092 145.3
[M+K]+ 206.98026 134.1
[M+H-H2O]+ 151.01436 119.1
[M+HCOO]- 213.01530 154.1
[M+CH3COO]- 227.03095 179.4
[M+Na-2H]- 188.99177 133.2
[M]+ 168.01655 126.1
[M]- 168.01765 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe