CID 21218060

Schembl6561244

Structural Information

Molecular Formula
C20H26O2
SMILES
CCCCC(CCC)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C20H26O2/c1-3-5-15-20(14-4-2,16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h6-13,21-22H,3-5,14-15H2,1-2H3
InChIKey
UYMFGDDHLZKCRL-UHFFFAOYSA-N
Compound name
4-[4-(4-hydroxyphenyl)octan-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

298.19327 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.20055 174.4
[M+Na]+ 321.18249 179.7
[M-H]- 297.18599 177.9
[M+NH4]+ 316.22709 188.4
[M+K]+ 337.15643 174.3
[M+H-H2O]+ 281.19053 167.2
[M+HCOO]- 343.19147 192.6
[M+CH3COO]- 357.20712 201.7
[M+Na-2H]- 319.16794 177.6
[M]+ 298.19272 175.0
[M]- 298.19382 175.0
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