CID 202193

Resedine

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1C(OC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C9H9NO2/c11-9-10-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
InChIKey
ARILQDNHZGKJBK-UHFFFAOYSA-N
Compound name
5-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

211
Patents

163.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.6
[M+Na]+ 186.05254 139.1
[M-H]- 162.05604 136.2
[M+NH4]+ 181.09714 150.4
[M+K]+ 202.02648 137.4
[M+H-H2O]+ 146.06058 125.1
[M+HCOO]- 208.06152 152.5
[M+CH3COO]- 222.07717 171.9
[M+Na-2H]- 184.03799 137.4
[M]+ 163.06277 128.6
[M]- 163.06387 128.6
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