CID 6793244

158014-03-0

Structural Information

Molecular Formula
C5H5N2O3
SMILES
CCOC(=O)C(=C=[N-])N=O
InChI
InChI=1S/C5H5N2O3/c1-2-10-5(8)4(3-6)7-9/h2H2,1H3/q-1
InChIKey
UKUASRULMHWUSG-UHFFFAOYSA-N
Compound name
(3-ethoxy-2-nitroso-3-oxoprop-1-enylidene)azanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.03001 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.037286 125.9
[M+Na]+ 164.019228 133.0
[M-H]- 140.022734 127.6
[M+NH4]+ 159.063833 147.3
[M+K]+ 179.993168 134.5
[M+H-H2O]+ 124.027270 122.6
[M+HCOO]- 186.028211 153.9
[M+CH3COO]- 200.043861 178.5
[M+Na-2H]- 162.004676 131.4
[M]+ 141.02946142 126.6
[M]- 141.03055858 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.