CID 28678

Myristyl stearate

Structural Information

Molecular Formula
C32H64O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKey
MHXBHWLGRWOABW-UHFFFAOYSA-N
Compound name
tetradecyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

24339
Patents

480.49063 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.49791 237.1
[M+Na]+ 503.47985 241.0
[M+NH4]+ 498.52445 238.3
[M+K]+ 519.45379 239.2
[M-H]- 479.48335 221.6
[M+Na-2H]- 501.46530 234.1
[M]+ 480.49008 234.7
[M]- 480.49118 234.7
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