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]+ 259.144116 158.2
[M+Na]+ 281.126058 164.8
[M-H]- 257.129564 164.7
[M+NH4]+ 276.170663 173.5
[M+K]+ 297.099998 162.0
[M+H-H2O]+ 241.134100 149.9
[M+HCOO]- 303.135041 177.8
[M+CH3COO]- 317.150691 169.8
[M+Na-2H]- 279.111506 159.4
[M]+ 258.13629142 157.3
[M]- 258.13738858 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