CID 81259

4,4'-(1,3-dimethylbutylidene)diphenol

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
3
Annotation Hits

3
References

6280
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 164.8
[M+Na]+ 293.15122 170.7
[M-H]- 269.15472 168.8
[M+NH4]+ 288.19582 179.9
[M+K]+ 309.12516 166.4
[M+H-H2O]+ 253.15926 158.2
[M+HCOO]- 315.16020 182.7
[M+CH3COO]- 329.17585 196.6
[M+Na-2H]- 291.13667 168.0
[M]+ 270.16145 164.2
[M]- 270.16255 164.2
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