CID 135858239

4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenol

Structural Information

Molecular Formula
C12H12N2O3
SMILES
C1CC(OC1)C2=NC(=NO2)C3=CC=C(C=C3)O
InChI
InChI=1S/C12H12N2O3/c15-9-5-3-8(4-6-9)11-13-12(17-14-11)10-2-1-7-16-10/h3-6,10,15H,1-2,7H2
InChIKey
LHBMJPDGQWFLNK-UHFFFAOYSA-N
Compound name
4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 147.5
[M+Na]+ 255.074018 155.5
[M-H]- 231.077524 155.1
[M+NH4]+ 250.118623 162.5
[M+K]+ 271.047958 154.8
[M+H-H2O]+ 215.082060 140.2
[M+HCOO]- 277.083001 167.3
[M+CH3COO]- 291.098651 160.4
[M+Na-2H]- 253.059466 150.9
[M]+ 232.08425142 147.6
[M]- 232.08534858 147.6
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.