CID 287329

5-(2-phenylethyl)-2,3-dihydro-1,3,4-oxadiazol-2-one

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC=C(C=C1)CCC2=NNC(=O)O2
InChI
InChI=1S/C10H10N2O2/c13-10-12-11-9(14-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKey
ISDQJYLHCJZIIR-UHFFFAOYSA-N
Compound name
5-(2-phenylethyl)-3H-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 137.8
[M+Na]+ 213.063448 146.9
[M-H]- 189.066954 141.5
[M+NH4]+ 208.108053 154.3
[M+K]+ 229.037388 144.4
[M+H-H2O]+ 173.071490 130.1
[M+HCOO]- 235.072431 159.8
[M+CH3COO]- 249.088081 177.1
[M+Na-2H]- 211.048896 144.8
[M]+ 190.07368142 138.5
[M]- 190.07477858 138.5
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.