CID 136125361

3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-ol

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=CC(=CC=C1C2=NOC(=O)N2)O
InChI
InChI=1S/C8H6N2O3/c11-6-3-1-5(2-4-6)7-9-8(12)13-10-7/h1-4,11H,(H,9,10,12)
InChIKey
KRZHKSQIFXCQNS-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.03784 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 132.2
[M+Na]+ 201.02706 142.6
[M-H]- 177.03056 135.3
[M+NH4]+ 196.07166 148.8
[M+K]+ 217.00100 140.1
[M+H-H2O]+ 161.03510 125.2
[M+HCOO]- 223.03604 153.6
[M+CH3COO]- 237.05169 145.9
[M+Na-2H]- 199.01251 139.2
[M]+ 178.03729 132.2
[M]- 178.03839 132.2
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

patents stripe