CID 85965972

2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl nonanoate

Structural Information

Molecular Formula
C17H34O6
SMILES
CCCCCCCCC(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C17H34O6/c1-2-3-4-5-6-7-8-17(19)23-16-15-22-14-13-21-12-11-20-10-9-18/h18H,2-16H2,1H3
InChIKey
YPWVZBRBNLABPX-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

334.23553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.242806 184.6
[M+Na]+ 357.224748 186.5
[M-H]- 333.228254 181.2
[M+NH4]+ 352.269353 197.5
[M+K]+ 373.198688 185.5
[M+H-H2O]+ 317.232790 177.2
[M+HCOO]- 379.233731 203.8
[M+CH3COO]- 393.249381 208.5
[M+Na-2H]- 355.210196 184.4
[M]+ 334.23498142 195.4
[M]- 334.23607858 195.4
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