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

11
Patents

270.162 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.169276 165.4
[M+Na]+ 293.151218 170.9
[M-H]- 269.154724 169.0
[M+NH4]+ 288.195823 180.3
[M+K]+ 309.125158 165.9
[M+H-H2O]+ 253.159260 158.1
[M+HCOO]- 315.160201 184.8
[M+CH3COO]- 329.175851 196.1
[M+Na-2H]- 291.136666 167.7
[M]+ 270.16145142 165.1
[M]- 270.16254858 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