CID 25244422

2-hydroxy-5-nitropenta-2,4-dienoate

Structural Information

Molecular Formula
C5H5NO5
SMILES
C(=C/[N+](=O)[O-])\C=C(/C(=O)O)\O
InChI
InChI=1S/C5H5NO5/c7-4(5(8)9)2-1-3-6(10)11/h1-3,7H,(H,8,9)/b3-1+,4-2+
InChIKey
AWIWLUIOYDCPBC-ZPUQHVIOSA-N
Compound name
(2E,4E)-2-hydroxy-5-nitropenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

159.01677 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.02405 128.6
[M+Na]+ 182.00599 135.0
[M-H]- 158.00949 126.4
[M+NH4]+ 177.05059 147.0
[M+K]+ 197.97993 129.8
[M+H-H2O]+ 142.01403 129.0
[M+HCOO]- 204.01497 150.4
[M+CH3COO]- 218.03062 162.7
[M+Na-2H]- 179.99144 133.8
[M]+ 159.01622 125.3
[M]- 159.01732 125.3
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.