CID 10889

Cetyl palmitate

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

75
References

48416
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 240.3
[M+Na]+ 503.47985 246.3
[M-H]- 479.48335 222.0
[M+NH4]+ 498.52445 238.7
[M+K]+ 519.45379 230.6
[M+H-H2O]+ 463.48789 230.9
[M+HCOO]- 525.48883 248.8
[M+CH3COO]- 539.50448 247.3
[M+Na-2H]- 501.46530 232.4
[M]+ 480.49008 241.4
[M]- 480.49118 241.4
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