CID 81259

6807-17-6

Structural Information

Molecular Formula
C18H22O2
SMILES
CC(C)CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C18H22O2/c1-13(2)12-18(3,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,19-20H,12H2,1-3H3
InChIKey
VHLLJTHDWPAQEM-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

6159
Patents

270.162 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 165.9
[M+Na]+ 293.15122 179.1
[M+NH4]+ 288.19582 173.8
[M+K]+ 309.12516 172.5
[M-H]- 269.15472 169.2
[M+Na-2H]- 291.13667 173.7
[M]+ 270.16145 168.9
[M]- 270.16255 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe