CID 14373586

2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC=C(C=C1)C2=NOC(=N2)CCO
InChI
InChI=1S/C10H10N2O2/c13-7-6-9-11-10(12-14-9)8-4-2-1-3-5-8/h1-5,13H,6-7H2
InChIKey
UBLQZDJTNFOEGS-UHFFFAOYSA-N
Compound name
2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 138.2
[M+Na]+ 213.063448 147.1
[M-H]- 189.066954 141.9
[M+NH4]+ 208.108053 154.8
[M+K]+ 229.037388 145.2
[M+H-H2O]+ 173.071490 130.5
[M+HCOO]- 235.072431 160.1
[M+CH3COO]- 249.088081 151.5
[M+Na-2H]- 211.048896 145.4
[M]+ 190.07368142 139.7
[M]- 190.07477858 139.7
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.