CID 3022617

Dicyclooctylhydroquinone

Structural Information

Molecular Formula
C22H34O2
SMILES
C1CCCC(CCC1)C2=C(C=CC(=C2C3CCCCCCC3)O)O
InChI
InChI=1S/C22H34O2/c23-19-15-16-20(24)22(18-13-9-5-2-6-10-14-18)21(19)17-11-7-3-1-4-8-12-17/h15-18,23-24H,1-14H2
InChIKey
SXJGRKIPOFQDCT-UHFFFAOYSA-N
Compound name
2,3-di(cyclooctyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.2559 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.26318 126.5
[M+Na]+ 353.24512 127.4
[M-H]- 329.24862 126.9
[M+NH4]+ 348.28972 127.2
[M+K]+ 369.21906 127.7
[M+H-H2O]+ 313.25316 125.6
[M+HCOO]- 375.25410 127.0
[M+CH3COO]- 389.26975 126.6
[M+Na-2H]- 351.23057 125.6
[M]+ 330.25535 126.2
[M]- 330.25645 126.2
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.