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]+ 202.034616 138.0
[M+Na]+ 224.016558 143.4
[M-H]- 200.020064 135.6
[M+NH4]+ 219.061163 154.4
[M+K]+ 239.990498 138.6
[M+H-H2O]+ 184.024600 138.1
[M+HCOO]- 246.025541 157.7
[M+CH3COO]- 260.041191 171.6
[M+Na-2H]- 222.002006 140.0
[M]+ 201.02679142 134.8
[M]- 201.02788858 134.8
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.