CID 25245701

Hnoha

Structural Information

Molecular Formula
C7H7NO6
SMILES
CC(=O)/C(=C\C=C(/C(=O)O)\O)/[N+](=O)[O-]
InChI
InChI=1S/C7H7NO6/c1-4(9)5(8(13)14)2-3-6(10)7(11)12/h2-3,10H,1H3,(H,11,12)/b5-2+,6-3+
InChIKey
SAODYNZARMXJOU-BUSIMMOISA-N
Compound name
(2E,4E)-2-hydroxy-5-nitro-6-oxohepta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

201.02734 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.03462 139.7
[M+Na]+ 224.01656 146.5
[M+NH4]+ 219.06116 143.0
[M+K]+ 239.99050 148.5
[M-H]- 200.02006 135.6
[M+Na-2H]- 222.00201 138.4
[M]+ 201.02679 138.6
[M]- 201.02789 138.6
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

No patent data available for this compound.