CID 90835

2-octyldodecyl myristate

Structural Information

Molecular Formula
C34H68O2
SMILES
CCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC
InChI
InChI=1S/C34H68O2/c1-4-7-10-13-16-18-19-20-22-25-28-31-34(35)36-32-33(29-26-23-15-12-9-6-3)30-27-24-21-17-14-11-8-5-2/h33H,4-32H2,1-3H3
InChIKey
BGRXBNZMPMGLQI-UHFFFAOYSA-N
Compound name
2-octyldodecyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

24039
Patents

508.52194 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.529216 246.6
[M+Na]+ 531.511158 252.9
[M-H]- 507.514664 229.2
[M+NH4]+ 526.555763 246.7
[M+K]+ 547.485098 253.8
[M+H-H2O]+ 491.519200 247.0
[M+HCOO]- 553.520141 252.2
[M+CH3COO]- 567.535791 253.7
[M+Na-2H]- 529.496606 231.8
[M]+ 508.52139142 247.7
[M]- 508.52248858 247.7
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