CID 15570439

82209-87-8

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

42
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 172.3
[M+Na]+ 321.18249 180.6
[M-H]- 297.18599 177.2
[M+NH4]+ 316.22709 187.4
[M+K]+ 337.15643 175.7
[M+H-H2O]+ 281.19053 165.6
[M+HCOO]- 343.19147 191.0
[M+CH3COO]- 357.20712 207.1
[M+Na-2H]- 319.16794 170.8
[M]+ 298.19272 174.5
[M]- 298.19382 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