CID 10467730

Morpholine, 4-((1-oxo-1h-2-benzopyran-4-yl)carbonyl)-

Structural Information

Molecular Formula
C14H13NO4
SMILES
C1COCCN1C(=O)C2=COC(=O)C3=CC=CC=C32
InChI
InChI=1S/C14H13NO4/c16-13(15-5-7-18-8-6-15)12-9-19-14(17)11-4-2-1-3-10(11)12/h1-4,9H,5-8H2
InChIKey
KVIHJKUVSAAHPO-UHFFFAOYSA-N
Compound name
4-(morpholine-4-carbonyl)isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.08447 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.091746 154.9
[M+Na]+ 282.073688 162.1
[M-H]- 258.077194 162.1
[M+NH4]+ 277.118293 168.1
[M+K]+ 298.047628 161.5
[M+H-H2O]+ 242.081730 146.4
[M+HCOO]- 304.082671 171.8
[M+CH3COO]- 318.098321 166.8
[M+Na-2H]- 280.059136 161.9
[M]+ 259.08392142 154.6
[M]- 259.08501858 154.6
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.