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
3
Annotation Hits

2
References

12926
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

literature stripe

Patent stripe

patents stripe