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]+ 248.09174 153.9
[M+Na]+ 270.07368 161.7
[M-H]- 246.07718 158.9
[M+NH4]+ 265.11828 169.7
[M+K]+ 286.04762 159.5
[M+H-H2O]+ 230.08172 147.2
[M+HCOO]- 292.08266 173.3
[M+CH3COO]- 306.09831 188.7
[M+Na-2H]- 268.05913 155.2
[M]+ 247.08391 153.9
[M]- 247.08501 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.