CID 68936

Metastiridona

Structural Information

Molecular Formula
C13H15NO2
SMILES
CC1(NC(=O)C(O1)C=CC2=CC=CC=C2)C
InChI
InChI=1S/C13H15NO2/c1-13(2)14-12(15)11(16-13)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,14,15)
InChIKey
VEZXEOWXHFHYHC-UHFFFAOYSA-N
Compound name
2,2-dimethyl-5-(2-phenylethenyl)-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.0
[M+Na]+ 240.09950 156.1
[M-H]- 216.10300 152.8
[M+NH4]+ 235.14410 167.1
[M+K]+ 256.07344 153.0
[M+H-H2O]+ 200.10754 141.9
[M+HCOO]- 262.10848 167.8
[M+CH3COO]- 276.12413 183.2
[M+Na-2H]- 238.08495 152.2
[M]+ 217.10973 146.4
[M]- 217.11083 146.4
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.