CID 16730121

Isocetyl myristate

Structural Information

Molecular Formula
C30H60O2
SMILES
CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C30H60O2/c1-4-5-6-7-8-9-11-15-18-21-24-27-30(31)32-28-25-22-19-16-13-10-12-14-17-20-23-26-29(2)3/h29H,4-28H2,1-3H3
InChIKey
YICVJSOYNBZJAK-UHFFFAOYSA-N
Compound name
14-methylpentadecyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3294
Patents

452.45932 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.46660 228.6
[M+Na]+ 475.44854 235.1
[M+NH4]+ 470.49314 233.1
[M+K]+ 491.42248 232.9
[M-H]- 451.45204 217.4
[M+Na-2H]- 473.43399 225.8
[M]+ 452.45877 229.1
[M]- 452.45987 229.1
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