CID 110202

Lauryl palmitate

Structural Information

Molecular Formula
C28H56O2
SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC
InChI
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28(29)30-27-25-23-21-19-14-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey
GULIJHQUYGTWSO-UHFFFAOYSA-N
Compound name
dodecyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2205
Patents

424.42804 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.43532 220.1
[M+Na]+ 447.41726 225.9
[M+NH4]+ 442.46186 224.9
[M+K]+ 463.39120 225.2
[M-H]- 423.42076 218.3
[M+Na-2H]- 445.40271 218.1
[M]+ 424.42749 220.0
[M]- 424.42859 220.0
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