CID 110457

27725-17-3

Structural Information

Molecular Formula
C29H44O2
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)O
InChI
InChI=1S/C29H44O2/c1-26(2,3)18-28(7,8)22-11-13-24(30)20(16-22)15-21-17-23(12-14-25(21)31)29(9,10)19-27(4,5)6/h11-14,16-17,30-31H,15,18-19H2,1-10H3
InChIKey
NHKWEDRAPLIPAU-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

424.33414 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.34142 213.8
[M+Na]+ 447.32336 224.5
[M+NH4]+ 442.36796 219.1
[M+K]+ 463.29730 218.9
[M-H]- 423.32686 215.1
[M+Na-2H]- 445.30881 218.5
[M]+ 424.33359 216.1
[M]- 424.33469 216.1
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