CID 6522261

4-(3-acetoxybenzylidene)-2-methyl-5-oxazolidinone

Structural Information

Molecular Formula
C13H13NO4
SMILES
CC1N/C(=C/C2=CC(=CC=C2)OC(=O)C)/C(=O)O1
InChI
InChI=1S/C13H13NO4/c1-8-14-12(13(16)17-8)7-10-4-3-5-11(6-10)18-9(2)15/h3-8,14H,1-2H3/b12-7+
InChIKey
BMUBLASDXSTABL-KPKJPENVSA-N
Compound name
[3-[(E)-(2-methyl-5-oxo-1,3-oxazolidin-4-ylidene)methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.091736 153.9
[M+Na]+ 270.073678 161.7
[M-H]- 246.077184 158.9
[M+NH4]+ 265.118283 169.7
[M+K]+ 286.047618 159.5
[M+H-H2O]+ 230.081720 147.2
[M+HCOO]- 292.082661 173.3
[M+CH3COO]- 306.098311 188.7
[M+Na-2H]- 268.059126 155.2
[M]+ 247.08391142 153.9
[M]- 247.08500858 153.9
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.