CID 443314

Tween 20

Structural Information

Molecular Formula
C26H50O10
SMILES
CCCCCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO
InChI
InChI=1S/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3
InChIKey
HMFKFHLTUCJZJO-UHFFFAOYSA-N
Compound name
2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5284
References

4728
Patents

522.3404 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.34768 228.6
[M+Na]+ 545.32962 238.5
[M-H]- 521.33312 226.4
[M+NH4]+ 540.37422 234.8
[M+K]+ 561.30356 225.0
[M+H-H2O]+ 505.33766 220.1
[M+HCOO]- 567.33860 245.9
[M+CH3COO]- 581.35425 238.1
[M+Na-2H]- 543.31507 221.7
[M]+ 522.33985 232.9
[M]- 522.34095 232.9
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