CID 175112

Einecs 276-762-5

Structural Information

Molecular Formula
C30H46O2
SMILES
CCC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)C2=C(C(=CC(=C2)C(C)CC)C(C)(C)C)O
InChI
InChI=1S/C30H46O2/c1-12-18(3)21-14-23(27(31)25(16-21)29(6,7)8)20(5)24-15-22(19(4)13-2)17-26(28(24)32)30(9,10)11/h14-20,31-32H,12-13H2,1-11H3
InChIKey
ZGUBOEMAXMRLON-UHFFFAOYSA-N
Compound name
4-butan-2-yl-2-[1-(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)ethyl]-6-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1123
Patents

438.3498 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.35708 210.9
[M+Na]+ 461.33902 215.1
[M-H]- 437.34252 214.7
[M+NH4]+ 456.38362 220.4
[M+K]+ 477.31296 210.9
[M+H-H2O]+ 421.34706 204.3
[M+HCOO]- 483.34800 221.1
[M+CH3COO]- 497.36365 238.2
[M+Na-2H]- 459.32447 204.6
[M]+ 438.34925 214.4
[M]- 438.35035 214.4
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