CID 13782487

4-[2-ethyl-1-(4-hydroxyphenyl)hexyl]phenol

Structural Information

Molecular Formula
C20H26O2
SMILES
CCCCC(CC)C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C20H26O2/c1-3-5-6-15(4-2)20(16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h7-15,20-22H,3-6H2,1-2H3
InChIKey
XXHIPRDUAVCXHW-UHFFFAOYSA-N
Compound name
4-[2-ethyl-1-(4-hydroxyphenyl)hexyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2125
Patents

298.19327 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.200546 174.6
[M+Na]+ 321.182488 178.9
[M-H]- 297.185994 177.9
[M+NH4]+ 316.227093 188.3
[M+K]+ 337.156428 174.1
[M+H-H2O]+ 281.190530 167.0
[M+HCOO]- 343.191471 192.3
[M+CH3COO]- 357.207121 203.0
[M+Na-2H]- 319.167936 174.6
[M]+ 298.19272142 174.5
[M]- 298.19381858 174.5
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