CID 135933670

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

Structural Information

Molecular Formula
C15H18N2O2
SMILES
C1CCC(C1)CCC2=NC(=NO2)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H18N2O2/c18-13-8-6-12(7-9-13)15-16-14(19-17-15)10-5-11-3-1-2-4-11/h6-9,11,18H,1-5,10H2
InChIKey
UTDZVAATRIONED-UHFFFAOYSA-N
Compound name
4-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 158.2
[M+Na]+ 281.12606 164.8
[M-H]- 257.12956 164.7
[M+NH4]+ 276.17066 173.5
[M+K]+ 297.10000 162.0
[M+H-H2O]+ 241.13410 149.9
[M+HCOO]- 303.13504 177.8
[M+CH3COO]- 317.15069 169.8
[M+Na-2H]- 279.11151 159.4
[M]+ 258.13629 157.3
[M]- 258.13739 157.3
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

patents stripe