CID 12049205

Isocetyl palmitate

Structural Information

Molecular Formula
C32H64O2
SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C32H64O2/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32(33)34-30-27-24-21-18-15-12-13-16-19-22-25-28-31(2)3/h31H,4-30H2,1-3H3
InChIKey
OUZOBPPZPCBJAR-UHFFFAOYSA-N
Compound name
14-methylpentadecyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3093
Patents

480.49063 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.49791 239.5
[M+Na]+ 503.47985 246.2
[M-H]- 479.48335 222.9
[M+NH4]+ 498.52445 239.7
[M+K]+ 519.45379 246.2
[M+H-H2O]+ 463.48789 232.3
[M+HCOO]- 525.48883 245.9
[M+CH3COO]- 539.50448 248.0
[M+Na-2H]- 501.46530 232.4
[M]+ 480.49008 240.8
[M]- 480.49118 240.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe