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

literature stripe

Patent stripe

patents stripe