CID 83494

Phenol, 4,4'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bis-

Structural Information

Molecular Formula
C18H20O2
SMILES
CC(C)(CC(=C)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C18H20O2/c1-13(14-4-8-16(19)9-5-14)12-18(2,3)15-6-10-17(20)11-7-15/h4-11,19-20H,1,12H2,2-3H3
InChIKey
MZLYLGGRVAFGBY-UHFFFAOYSA-N
Compound name
4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

23
References

132
Patents

268.14633 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 163.5
[M+Na]+ 291.13555 169.8
[M-H]- 267.13905 167.6
[M+NH4]+ 286.18015 178.6
[M+K]+ 307.10949 164.8
[M+H-H2O]+ 251.14359 157.0
[M+HCOO]- 313.14453 181.6
[M+CH3COO]- 327.16018 195.7
[M+Na-2H]- 289.12100 166.7
[M]+ 268.14578 162.2
[M]- 268.14688 162.2
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