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 146.6
[M+Na]+ 229.09475 154.2
[M-H]- 205.09825 149.8
[M+NH4]+ 224.13935 161.0
[M+K]+ 245.06869 151.8
[M+H-H2O]+ 189.10279 138.5
[M+HCOO]- 251.10373 163.2
[M+CH3COO]- 265.11938 183.6
[M+Na-2H]- 227.08020 151.3
[M]+ 206.10498 143.4
[M]- 206.10608 143.4
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.