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
5
Annotation Hits

1
References

2527
Patents

424.42804 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.435316 223.3
[M+Na]+ 447.417258 221.5
[M-H]- 423.420764 219.4
[M+NH4]+ 442.461863 224.3
[M+K]+ 463.391198 216.3
[M+H-H2O]+ 407.425300 214.6
[M+HCOO]- 469.426241 235.8
[M+CH3COO]- 483.441891 235.9
[M+Na-2H]- 445.402706 217.4
[M]+ 424.42749142 234.4
[M]- 424.42858858 234.4
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