CID 53749398

2-ethylhexyl isohexadecanoate

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCC(CC)COC(=O)CCCCCCCCCCCCC(C)C
InChI
InChI=1S/C24H48O2/c1-5-7-19-23(6-2)21-26-24(25)20-17-15-13-11-9-8-10-12-14-16-18-22(3)4/h22-23H,5-21H2,1-4H3
InChIKey
DAASORNPDPZLHE-UHFFFAOYSA-N
Compound name
2-ethylhexyl 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

71
Patents

368.36542 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.37270 202.9
[M+Na]+ 391.35464 208.9
[M+NH4]+ 386.39924 207.5
[M+K]+ 407.32858 201.1
[M-H]- 367.35814 200.9
[M+Na-2H]- 389.34009 201.3
[M]+ 368.36487 202.8
[M]- 368.36597 202.8
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