CID 204577

16638-85-0

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C[C@@H]1[C@@H](OC(=O)NN1C)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2O2/c1-8-10(9-6-4-3-5-7-9)15-11(14)12-13(8)2/h3-8,10H,1-2H3,(H,12,14)/t8-,10-/m1/s1
InChIKey
UXVSYSJHNUGVCD-PSASIEDQSA-N
Compound name
(5R,6S)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 146.4
[M+Na]+ 229.09475 159.9
[M+NH4]+ 224.13935 153.9
[M+K]+ 245.06869 154.0
[M-H]- 205.09825 150.1
[M+Na-2H]- 227.08020 152.5
[M]+ 206.10498 149.3
[M]- 206.10608 149.3
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.