CID 88147

19546-20-4

Structural Information

Molecular Formula
C31H48O2
SMILES
CCC(CC)(CC)CC1=C(C=C(C=C1)C(C)(C)C2=CC(=C(C=C2)O)CC(CC)(CC)CC)O
InChI
InChI=1S/C31H48O2/c1-9-30(10-2,11-3)21-23-15-16-26(20-28(23)33)29(7,8)25-17-18-27(32)24(19-25)22-31(12-4,13-5)14-6/h15-20,32-33H,9-14,21-22H2,1-8H3
InChIKey
WBGDNDKJQZGXRE-UHFFFAOYSA-N
Compound name
2-(2,2-diethylbutyl)-5-[2-[3-(2,2-diethylbutyl)-4-hydroxyphenyl]propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.36542 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.372696 219.9
[M+Na]+ 475.354638 222.8
[M-H]- 451.358144 222.6
[M+NH4]+ 470.399243 228.2
[M+K]+ 491.328578 216.8
[M+H-H2O]+ 435.362680 212.1
[M+HCOO]- 497.363621 230.9
[M+CH3COO]- 511.379271 237.8
[M+Na-2H]- 473.340086 218.5
[M]+ 452.36487142 224.1
[M]- 452.36596858 224.1
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

No patent data available for this compound.