CID 7788

106-11-6

Structural Information

Molecular Formula
C22H44O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCO
InChI
InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h23H,2-21H2,1H3
InChIKey
PWVUXRBUUYZMKM-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

12381
Patents

372.32397 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.331246 202.5
[M+Na]+ 395.313188 202.5
[M-H]- 371.316694 198.2
[M+NH4]+ 390.357793 214.0
[M+K]+ 411.287128 199.1
[M+H-H2O]+ 355.321230 194.6
[M+HCOO]- 417.322171 219.6
[M+CH3COO]- 431.337821 219.4
[M+Na-2H]- 393.298636 199.4
[M]+ 372.32342142 212.3
[M]- 372.32451858 212.3
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