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

37
Patents

298.19327 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.20055 172.7
[M+Na]+ 321.18249 181.3
[M-H]- 297.18599 177.5
[M+NH4]+ 316.22709 187.9
[M+K]+ 337.15643 175.8
[M+H-H2O]+ 281.19053 165.8
[M+HCOO]- 343.19147 192.4
[M+CH3COO]- 357.20712 206.2
[M+Na-2H]- 319.16794 172.4
[M]+ 298.19272 175.5
[M]- 298.19382 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