CID 6413529

Fk 409

Structural Information

Molecular Formula
C8H13N3O4
SMILES
CC/C(=C\C(=N\O)\C(=O)N)/C(C)[N+](=O)[O-]
InChI
InChI=1S/C8H13N3O4/c1-3-6(5(2)11(14)15)4-7(10-13)8(9)12/h4-5,13H,3H2,1-2H3,(H2,9,12)/b6-4+,10-7-
InChIKey
MZAGXDHQGXUDDX-JSRXJHBZSA-N
Compound name
(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

148
References

1037
Patents

215.0906 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09788 146.4
[M+Na]+ 238.07982 152.2
[M+NH4]+ 233.12442 150.6
[M+K]+ 254.05376 153.4
[M-H]- 214.08332 144.9
[M+Na-2H]- 236.06527 146.0
[M]+ 215.09005 145.9
[M]- 215.09115 145.9
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