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 138.0
[M+Na]+ 224.01656 143.4
[M-H]- 200.02006 135.6
[M+NH4]+ 219.06116 154.4
[M+K]+ 239.99050 138.6
[M+H-H2O]+ 184.02460 138.1
[M+HCOO]- 246.02554 157.7
[M+CH3COO]- 260.04119 171.6
[M+Na-2H]- 222.00201 140.0
[M]+ 201.02679 134.8
[M]- 201.02789 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.