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]+ 233.09208 147.5
[M+Na]+ 255.07402 155.5
[M-H]- 231.07752 155.1
[M+NH4]+ 250.11862 162.5
[M+K]+ 271.04796 154.8
[M+H-H2O]+ 215.08206 140.2
[M+HCOO]- 277.08300 167.3
[M+CH3COO]- 291.09865 160.4
[M+Na-2H]- 253.05947 150.9
[M]+ 232.08425 147.6
[M]- 232.08535 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.