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
3
Annotation Hits

0
References

26505
Patents

508.52194 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.52922 246.6
[M+Na]+ 531.51116 252.9
[M-H]- 507.51466 229.2
[M+NH4]+ 526.55576 246.7
[M+K]+ 547.48510 253.8
[M+H-H2O]+ 491.51920 247.0
[M+HCOO]- 553.52014 252.2
[M+CH3COO]- 567.53579 253.7
[M+Na-2H]- 529.49661 231.8
[M]+ 508.52139 247.7
[M]- 508.52249 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