CID 119948

2-[2-(2-hydroxyethoxy)ethoxy]ethyl octanoate

Structural Information

Molecular Formula
C14H28O5
SMILES
CCCCCCCC(=O)OCCOCCOCCO
InChI
InChI=1S/C14H28O5/c1-2-3-4-5-6-7-14(16)19-13-12-18-11-10-17-9-8-15/h15H,2-13H2,1H3
InChIKey
YIXVNSVLWYQVSM-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethoxy]ethyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

276.19366 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.200936 169.2
[M+Na]+ 299.182878 172.5
[M-H]- 275.186384 166.5
[M+NH4]+ 294.227483 184.5
[M+K]+ 315.156818 171.6
[M+H-H2O]+ 259.190920 162.6
[M+HCOO]- 321.191861 189.2
[M+CH3COO]- 335.207511 197.7
[M+Na-2H]- 297.168326 170.3
[M]+ 276.19311142 177.4
[M]- 276.19420858 177.4
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