CID 6815

85-60-9

Structural Information

Molecular Formula
C26H38O2
SMILES
CCCC(C1=CC(=C(C=C1C)O)C(C)(C)C)C2=CC(=C(C=C2C)O)C(C)(C)C
InChI
InChI=1S/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3
InChIKey
PFANXOISJYKQRP-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

16
References

40492
Patents

382.28717 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.29445 196.7
[M+Na]+ 405.27639 203.2
[M-H]- 381.27989 201.2
[M+NH4]+ 400.32099 208.7
[M+K]+ 421.25033 198.5
[M+H-H2O]+ 365.28443 190.3
[M+HCOO]- 427.28537 210.2
[M+CH3COO]- 441.30102 224.7
[M+Na-2H]- 403.26184 194.3
[M]+ 382.28662 199.9
[M]- 382.28772 199.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe