CID 6522261

66866-71-5

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 155.4
[M+Na]+ 270.07368 166.2
[M+NH4]+ 265.11828 161.2
[M+K]+ 286.04762 163.6
[M-H]- 246.07718 157.3
[M+Na-2H]- 268.05913 158.8
[M]+ 247.08391 157.1
[M]- 247.08501 157.1
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.