CID 175111

Einecs 276-760-4

Structural Information

Molecular Formula
C29H44O2
SMILES
CCC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C(C)CC)C(C)(C)C)O
InChI
InChI=1S/C29H44O2/c1-11-18(3)20-13-22(26(30)24(16-20)28(5,6)7)15-23-14-21(19(4)12-2)17-25(27(23)31)29(8,9)10/h13-14,16-19,30-31H,11-12,15H2,1-10H3
InChIKey
PAMOFRNFPOZAHQ-UHFFFAOYSA-N
Compound name
4-butan-2-yl-2-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methyl]-6-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12
Patents

424.33414 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.34142 208.5
[M+Na]+ 447.32336 213.4
[M-H]- 423.32686 212.5
[M+NH4]+ 442.36796 218.7
[M+K]+ 463.29730 208.7
[M+H-H2O]+ 407.33140 201.8
[M+HCOO]- 469.33234 220.0
[M+CH3COO]- 483.34799 234.4
[M+Na-2H]- 445.30881 203.6
[M]+ 424.33359 212.2
[M]- 424.33469 212.2
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