CID 39688

50527-34-9

Structural Information

Molecular Formula
C13H12N2O5
SMILES
C1COCCN1C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]
InChI
InChI=1S/C13H12N2O5/c16-13-12(15(17)18)11(14-5-7-19-8-6-14)9-3-1-2-4-10(9)20-13/h1-4H,5-8H2
InChIKey
PYOMMFZCTIFHMA-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-3-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

0
Patents

276.07462 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08190 157.5
[M+Na]+ 299.06384 163.8
[M-H]- 275.06734 164.9
[M+NH4]+ 294.10844 169.2
[M+K]+ 315.03778 159.3
[M+H-H2O]+ 259.07188 153.1
[M+HCOO]- 321.07282 176.1
[M+CH3COO]- 335.08847 191.6
[M+Na-2H]- 297.04929 167.1
[M]+ 276.07407 155.9
[M]- 276.07517 155.9
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.