CID 1811415

3-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1COC(=O)N1C2=CC=CC(=C2)C#N
InChI
InChI=1S/C10H8N2O2/c11-7-8-2-1-3-9(6-8)12-4-5-14-10(12)13/h1-3,6H,4-5H2
InChIKey
OXIRRKMUBOFATG-UHFFFAOYSA-N
Compound name
3-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

188.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.065856 136.8
[M+Na]+ 211.047798 147.4
[M-H]- 187.051304 141.5
[M+NH4]+ 206.092403 153.5
[M+K]+ 227.021738 144.4
[M+H-H2O]+ 171.055840 123.1
[M+HCOO]- 233.056781 155.3
[M+CH3COO]- 247.072431 192.2
[M+Na-2H]- 209.033246 141.6
[M]+ 188.05803142 131.3
[M]- 188.05912858 131.3
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