CID 4962397

4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=NC(=NO1)C2=CC=C(C=C2)O
InChI
InChI=1S/C9H8N2O2/c1-6-10-9(11-13-6)7-2-4-8(12)5-3-7/h2-5,12H,1H3
InChIKey
CUCWKDHLIRIVLB-UHFFFAOYSA-N
Compound name
4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

176.05858 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 134.7
[M+Na]+ 199.04780 148.9
[M+NH4]+ 194.09240 142.7
[M+K]+ 215.02174 145.3
[M-H]- 175.05130 138.3
[M+Na-2H]- 197.03325 142.5
[M]+ 176.05803 137.7
[M]- 176.05913 137.7
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