CID 84202

2,6-dicyclooctylphenol

Structural Information

Molecular Formula
C22H34O
SMILES
C1CCCC(CCC1)C2=C(C(=CC=C2)C3CCCCCCC3)O
InChI
InChI=1S/C22H34O/c23-22-20(18-12-7-3-1-4-8-13-18)16-11-17-21(22)19-14-9-5-2-6-10-15-19/h11,16-19,23H,1-10,12-15H2
InChIKey
IAFDAEJVICEKQL-UHFFFAOYSA-N
Compound name
2,6-di(cyclooctyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

314.26096 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.26824 126.0
[M+Na]+ 337.25018 126.9
[M-H]- 313.25368 126.4
[M+NH4]+ 332.29478 126.7
[M+K]+ 353.22412 127.2
[M+H-H2O]+ 297.25822 125.0
[M+HCOO]- 359.25916 126.6
[M+CH3COO]- 373.27481 126.2
[M+Na-2H]- 335.23563 125.2
[M]+ 314.26041 125.7
[M]- 314.26151 125.7
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