CID 10294193

Ethylhexyl isostearate

Structural Information

Molecular Formula
C26H52O2
SMILES
CCCCC(CC)COC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C26H52O2/c1-5-7-21-25(6-2)23-28-26(27)22-19-17-15-13-11-9-8-10-12-14-16-18-20-24(3)4/h24-25H,5-23H2,1-4H3
InChIKey
QSNJNCHUFWULBZ-UHFFFAOYSA-N
Compound name
2-ethylhexyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1514
Patents

396.39673 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.404006 216.4
[M+Na]+ 419.385948 215.0
[M-H]- 395.389454 213.1
[M+NH4]+ 414.430553 219.1
[M+K]+ 435.359888 211.3
[M+H-H2O]+ 379.393990 208.4
[M+HCOO]- 441.394931 223.5
[M+CH3COO]- 455.410581 231.5
[M+Na-2H]- 417.371396 208.9
[M]+ 396.39618142 225.4
[M]- 396.39727858 225.4
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