CID 3041361

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

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)CO
InChI
InChI=1S/C9H8N2O2/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKey
PZJYBNBHJONRLK-UHFFFAOYSA-N
Compound name
(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

176.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 134.9
[M+Na]+ 199.04780 148.7
[M+NH4]+ 194.09240 142.8
[M+K]+ 215.02174 144.8
[M-H]- 175.05130 138.3
[M+Na-2H]- 197.03325 142.9
[M]+ 176.05803 137.8
[M]- 176.05913 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe