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]+ 273.22130 163.4
[M+Na]+ 295.20324 166.0
[M-H]- 271.20674 166.6
[M+NH4]+ 290.24784 170.9
[M+K]+ 311.17718 164.9
[M+H-H2O]+ 255.21128 158.9
[M+HCOO]- 317.21222 170.5
[M+CH3COO]- 331.22787 166.9
[M+Na-2H]- 293.18869 160.5
[M]+ 272.21347 159.3
[M]- 272.21457 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.