CID 15570439

4,4'-butylidenebis(2,6-xylenol)

Structural Information

Molecular Formula
C20H26O2
SMILES
CCCC(C1=CC(=C(C(=C1)C)O)C)C2=CC(=C(C(=C2)C)O)C
InChI
InChI=1S/C20H26O2/c1-6-7-18(16-8-12(2)19(21)13(3)9-16)17-10-14(4)20(22)15(5)11-17/h8-11,18,21-22H,6-7H2,1-5H3
InChIKey
JZTRTASDMYYCMP-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

298.19327 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.200546 172.3
[M+Na]+ 321.182488 180.6
[M-H]- 297.185994 177.2
[M+NH4]+ 316.227093 187.4
[M+K]+ 337.156428 175.7
[M+H-H2O]+ 281.190530 165.6
[M+HCOO]- 343.191471 191.0
[M+CH3COO]- 357.207121 207.1
[M+Na-2H]- 319.167936 170.8
[M]+ 298.19272142 174.5
[M]- 298.19381858 174.5
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