CID 21350393

5-phenyl-1,3-oxazinane-2,4-dione

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1C(C(=O)NC(=O)O1)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)
InChIKey
YPIQXPKZXKWWSZ-UHFFFAOYSA-N
Compound name
5-phenyl-1,3-oxazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7
Patents

191.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 138.3
[M+Na]+ 214.047458 145.6
[M-H]- 190.050964 142.8
[M+NH4]+ 209.092063 154.2
[M+K]+ 230.021398 143.6
[M+H-H2O]+ 174.055500 131.0
[M+HCOO]- 236.056441 157.0
[M+CH3COO]- 250.072091 177.9
[M+Na-2H]- 212.032906 144.5
[M]+ 191.05769142 134.6
[M]- 191.05878858 134.6
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

patents stripe