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

88
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 117.5
[M+Na]+ 139.99543 125.2
[M-H]- 115.99893 117.1
[M+NH4]+ 135.04003 138.5
[M+K]+ 155.96937 121.1
[M+H-H2O]+ 100.00347 118.2
[M+HCOO]- 162.00441 142.1
[M+CH3COO]- 176.02006 158.2
[M+Na-2H]- 137.98088 125.3
[M]+ 117.00566 115.5
[M]- 117.00676 115.5
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

patents stripe