CID 5490061

Oxazorone

Structural Information

Molecular Formula
C14H15NO4
SMILES
C1COCCN1CC2=CC(=O)OC3=C2C=CC(=C3)O
InChI
InChI=1S/C14H15NO4/c16-11-1-2-12-10(7-14(17)19-13(12)8-11)9-15-3-5-18-6-4-15/h1-2,7-8,16H,3-6,9H2
InChIKey
LLQWUZKGZZNBKG-UHFFFAOYSA-N
Compound name
7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

167
Patents

261.1001 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 156.6
[M+Na]+ 284.08932 164.2
[M-H]- 260.09282 162.7
[M+NH4]+ 279.13392 169.4
[M+K]+ 300.06326 162.8
[M+H-H2O]+ 244.09736 148.2
[M+HCOO]- 306.09830 172.7
[M+CH3COO]- 320.11395 168.1
[M+Na-2H]- 282.07477 163.6
[M]+ 261.09955 156.3
[M]- 261.10065 156.3
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.