CID 3022616

2-cyclooctyl-6-cyclopentylphenol

Structural Information

Molecular Formula
C19H28O
SMILES
C1CCCC(CCC1)C2=C(C(=CC=C2)C3CCCC3)O
InChI
InChI=1S/C19H28O/c20-19-17(15-9-4-2-1-3-5-10-15)13-8-14-18(19)16-11-6-7-12-16/h8,13-16,20H,1-7,9-12H2
InChIKey
SPYCTJYQSHLVPR-UHFFFAOYSA-N
Compound name
2-cyclooctyl-6-cyclopentylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.21402 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.221296 163.4
[M+Na]+ 295.203238 166.0
[M-H]- 271.206744 166.6
[M+NH4]+ 290.247843 170.9
[M+K]+ 311.177178 164.9
[M+H-H2O]+ 255.211280 158.9
[M+HCOO]- 317.212221 170.5
[M+CH3COO]- 331.227871 166.9
[M+Na-2H]- 293.188686 160.5
[M]+ 272.21347142 159.3
[M]- 272.21456858 159.3
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.