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]+ 191.08151 138.2
[M+Na]+ 213.06345 147.1
[M-H]- 189.06695 141.9
[M+NH4]+ 208.10805 154.8
[M+K]+ 229.03739 145.2
[M+H-H2O]+ 173.07149 130.5
[M+HCOO]- 235.07243 160.1
[M+CH3COO]- 249.08808 151.5
[M+Na-2H]- 211.04890 145.4
[M]+ 190.07368 139.7
[M]- 190.07478 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.