CID 5710134

Sodium 2-nitro-1,3-dioxopropan-2-ide

Structural Information

Molecular Formula
C3H3NO4
SMILES
C(=C(\C=O)/[N+](=O)[O-])\O
InChI
InChI=1S/C3H3NO4/c5-1-3(2-6)4(7)8/h1-2,5H/b3-1+
InChIKey
JBBHDCMVSJADCE-HNQUOIGGSA-N
Compound name
(E)-3-hydroxy-2-nitroprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

117.00621 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.01349 118.5
[M+Na]+ 139.99543 128.6
[M+NH4]+ 135.04003 125.0
[M+K]+ 155.96937 127.8
[M-H]- 115.99893 117.3
[M+Na-2H]- 137.98088 121.0
[M]+ 117.00566 119.0
[M]- 117.00676 119.0
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.