CID 83494

4,4'-(4-methylpent-1-ene-2,4-diyl)diphenol

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
6
Annotation Hits

23
References

126
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.