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]+ 191.08151 137.8
[M+Na]+ 213.06345 146.9
[M-H]- 189.06695 141.5
[M+NH4]+ 208.10805 154.3
[M+K]+ 229.03739 144.4
[M+H-H2O]+ 173.07149 130.1
[M+HCOO]- 235.07243 159.8
[M+CH3COO]- 249.08808 177.1
[M+Na-2H]- 211.04890 144.8
[M]+ 190.07368 138.5
[M]- 190.07478 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.