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
3
Annotation Hits

0
References

3357
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 233.1
[M+Na]+ 475.44854 230.2
[M-H]- 451.45204 216.5
[M+NH4]+ 470.49314 232.5
[M+K]+ 491.42248 225.0
[M+H-H2O]+ 435.45658 224.2
[M+HCOO]- 497.45752 239.5
[M+CH3COO]- 511.47317 242.3
[M+Na-2H]- 473.43399 224.8
[M]+ 452.45877 233.8
[M]- 452.45987 233.8
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