CID 6399012

Nor-1

Structural Information

Molecular Formula
C8H13N3O5
SMILES
C/C(=C\C(=N/O)\C(=O)N)/C(COC)[N+](=O)[O-]
InChI
InChI=1S/C8H13N3O5/c1-5(3-6(10-13)8(9)12)7(4-16-2)11(14)15/h3,7,13H,4H2,1-2H3,(H2,9,12)/b5-3+,10-6+
InChIKey
HCUOEKSZWPGJIM-YBRHCDHNSA-N
Compound name
(E,2E)-2-hydroxyimino-6-methoxy-4-methyl-5-nitrohex-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

290
References

989
Patents

231.08553 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09281 148.3
[M+Na]+ 254.07475 151.9
[M-H]- 230.07825 147.8
[M+NH4]+ 249.11935 177.6
[M+K]+ 270.04869 148.5
[M+H-H2O]+ 214.08279 146.7
[M+HCOO]- 276.08373 171.4
[M+CH3COO]- 290.09938 188.1
[M+Na-2H]- 252.06020 150.2
[M]+ 231.08498 145.7
[M]- 231.08608 145.7
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