CID 1811416

3-(4-acetylphenyl)-1,3-oxazolidin-2-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

205.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 142.1
[M+Na]+ 228.063118 150.0
[M-H]- 204.066624 148.3
[M+NH4]+ 223.107723 160.0
[M+K]+ 244.037058 149.1
[M+H-H2O]+ 188.071160 135.3
[M+HCOO]- 250.072101 163.2
[M+CH3COO]- 264.087751 183.8
[M+Na-2H]- 226.048566 145.5
[M]+ 205.07335142 142.2
[M]- 205.07444858 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