CID 13132266

2-ethylhexyl stearate

Structural Information

Molecular Formula
C26H52O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3
InChIKey
OPJWPPVYCOPDCM-UHFFFAOYSA-N
Compound name
2-ethylhexyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

13761
Patents

396.39673 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.40401 215.7
[M+Na]+ 419.38595 214.5
[M-H]- 395.38945 212.3
[M+NH4]+ 414.43055 218.1
[M+K]+ 435.35989 210.3
[M+H-H2O]+ 379.39399 207.5
[M+HCOO]- 441.39493 226.4
[M+CH3COO]- 455.41058 230.8
[M+Na-2H]- 417.37140 209.5
[M]+ 396.39618 225.4
[M]- 396.39728 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

No patent data available for this compound.