CID 90657851

C20806

Structural Information

Molecular Formula
C31H46O3
SMILES
CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)CO
InChI
InChI=1S/C31H46O3/c1-22(11-8-12-23(2)14-10-16-25(4)21-32)13-9-15-24(3)19-20-27-26(5)30(33)28-17-6-7-18-29(28)31(27)34/h6-7,17-19,22-23,25,32H,8-16,20-21H2,1-5H3/b24-19+
InChIKey
RYJLHGDNDDQPAO-LYBHJNIJSA-N
Compound name
2-[(E)-16-hydroxy-3,7,11,15-tetramethylhexadec-2-enyl]-3-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

466.3447 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.35198 223.2
[M+Na]+ 489.33392 231.8
[M+NH4]+ 484.37852 227.5
[M+K]+ 505.30786 224.0
[M-H]- 465.33742 223.3
[M+Na-2H]- 487.31937 222.4
[M]+ 466.34415 224.2
[M]- 466.34525 224.2
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

No patent data available for this compound.