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
4
Annotation Hits

0
References

2799
Patents

452.45932 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.466596 233.1
[M+Na]+ 475.448538 230.2
[M-H]- 451.452044 216.5
[M+NH4]+ 470.493143 232.5
[M+K]+ 491.422478 225.0
[M+H-H2O]+ 435.456580 224.2
[M+HCOO]- 497.457521 239.5
[M+CH3COO]- 511.473171 242.3
[M+Na-2H]- 473.433986 224.8
[M]+ 452.45877142 233.8
[M]- 452.45986858 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