CID 85669

4,4'-(1-methylpentylidene)bisphenol

Structural Information

Molecular Formula
C18H22O2
SMILES
CC(CCCCC1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C18H22O2/c1-14(16-8-12-18(20)13-9-16)4-2-3-5-15-6-10-17(19)11-7-15/h6-14,19-20H,2-5H2,1H3
InChIKey
XUKUIOSAILSDSP-UHFFFAOYSA-N
Compound name
4-[5-(4-hydroxyphenyl)hexyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

270.162 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 165.4
[M+Na]+ 293.15122 170.9
[M-H]- 269.15472 169.0
[M+NH4]+ 288.19582 180.3
[M+K]+ 309.12516 165.9
[M+H-H2O]+ 253.15926 158.1
[M+HCOO]- 315.16020 184.8
[M+CH3COO]- 329.17585 196.1
[M+Na-2H]- 291.13667 167.7
[M]+ 270.16145 165.1
[M]- 270.16255 165.1
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