CID 45792506

3-(3-acetylphenyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC(=O)C1=CC(=CC=C1)N2CCOC2=O
InChI
InChI=1S/C11H11NO3/c1-8(13)9-3-2-4-10(7-9)12-5-6-15-11(12)14/h2-4,7H,5-6H2,1H3
InChIKey
VMYSEPFZMXONLL-UHFFFAOYSA-N
Compound name
3-(3-acetylphenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

205.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.1
[M+Na]+ 228.06312 150.0
[M-H]- 204.06662 148.3
[M+NH4]+ 223.10772 160.0
[M+K]+ 244.03706 149.1
[M+H-H2O]+ 188.07116 135.3
[M+HCOO]- 250.07210 163.2
[M+CH3COO]- 264.08775 183.8
[M+Na-2H]- 226.04857 145.5
[M]+ 205.07335 142.2
[M]- 205.07445 142.2
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

patents stripe