CID 77391

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

Structural Information

Molecular Formula
C20H26O2
SMILES
CC1=CC(=C(C(=C1)CCCCC2=CC(=CC(=C2O)C)C)O)C
InChI
InChI=1S/C20H26O2/c1-13-9-15(3)19(21)17(11-13)7-5-6-8-18-12-14(2)10-16(4)20(18)22/h9-12,21-22H,5-8H2,1-4H3
InChIKey
WIDWYXNFFSBCFM-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxy-3,5-dimethylphenyl)butyl]-4,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
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 172.7
[M+Na]+ 321.182488 181.3
[M-H]- 297.185994 177.5
[M+NH4]+ 316.227093 187.9
[M+K]+ 337.156428 175.8
[M+H-H2O]+ 281.190530 165.8
[M+HCOO]- 343.191471 192.4
[M+CH3COO]- 357.207121 206.2
[M+Na-2H]- 319.167936 172.4
[M]+ 298.19272142 175.5
[M]- 298.19381858 175.5
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