CID 135912792

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

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CCCCC1=NC(=NO1)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H14N2O2/c1-2-3-4-11-13-12(14-16-11)9-5-7-10(15)8-6-9/h5-8,15H,2-4H2,1H3
InChIKey
OUNWDZINNLJSJW-UHFFFAOYSA-N
Compound name
4-(5-butyl-1,2,4-oxadiazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 147.7
[M+Na]+ 241.09475 156.6
[M-H]- 217.09825 151.5
[M+NH4]+ 236.13935 163.5
[M+K]+ 257.06869 154.2
[M+H-H2O]+ 201.10279 139.8
[M+HCOO]- 263.10373 169.0
[M+CH3COO]- 277.11938 185.0
[M+Na-2H]- 239.08020 153.0
[M]+ 218.10498 150.3
[M]- 218.10608 150.3
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.