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

6
Patents

424.33414 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.341416 208.5
[M+Na]+ 447.323358 213.4
[M-H]- 423.326864 212.5
[M+NH4]+ 442.367963 218.7
[M+K]+ 463.297298 208.7
[M+H-H2O]+ 407.331400 201.8
[M+HCOO]- 469.332341 220.0
[M+CH3COO]- 483.347991 234.4
[M+Na-2H]- 445.308806 203.6
[M]+ 424.33359142 212.2
[M]- 424.33468858 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