CID 71587292

Kojic dipalmitate

Structural Information

Molecular Formula
C37H64O6
SMILES
CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)C(=CO1)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C37H64O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)42-34-32-41-37(31-33(34)38)43-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3
InChIKey
URJOWNUVTORLNY-UHFFFAOYSA-N
Compound name
(5-hexadecanoyloxy-4-oxopyran-2-yl) hexadecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1569
Patents

604.4703 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.47758 244.3
[M+Na]+ 627.45952 253.5
[M-H]- 603.46302 233.8
[M+NH4]+ 622.50412 250.0
[M+K]+ 643.43346 250.9
[M+H-H2O]+ 587.46756 253.7
[M+HCOO]- 649.46850 260.8
[M+CH3COO]- 663.48415 265.6
[M+Na-2H]- 625.44497 231.0
[M]+ 604.46975 246.6
[M]- 604.47085 246.6
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