CID 39080

5-oxo-4-phenyltetrahydro-2-furancarbonitrile

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1C(OC(=O)C1C2=CC=CC=C2)C#N
InChI
InChI=1S/C11H9NO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-5,9-10H,6H2
InChIKey
AWJCOLWSBVPCSE-UHFFFAOYSA-N
Compound name
5-oxo-4-phenyloxolane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.06332 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 141.5
[M+Na]+ 210.05254 153.5
[M+NH4]+ 205.09714 146.7
[M+K]+ 226.02648 145.8
[M-H]- 186.05604 138.4
[M+Na-2H]- 208.03799 145.3
[M]+ 187.06277 141.5
[M]- 187.06387 141.5
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

No patent data available for this compound.