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]+ 331.263176 126.5
[M+Na]+ 353.245118 127.4
[M-H]- 329.248624 126.9
[M+NH4]+ 348.289723 127.2
[M+K]+ 369.219058 127.7
[M+H-H2O]+ 313.253160 125.6
[M+HCOO]- 375.254101 127.0
[M+CH3COO]- 389.269751 126.6
[M+Na-2H]- 351.230566 125.6
[M]+ 330.25535142 126.2
[M]- 330.25644858 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.