CID 101323

2-(2-hydroxyethoxy)ethyl palmitate

Structural Information

Molecular Formula
C20H40O4
SMILES
CCCCCCCCCCCCCCCC(=O)OCCOCCO
InChI
InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(22)24-19-18-23-17-16-21/h21H,2-19H2,1H3
InChIKey
RGODSEMCBFJLCL-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

344.29266 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29994 191.4
[M+Na]+ 367.28188 197.3
[M+NH4]+ 362.32648 195.3
[M+K]+ 383.25582 190.2
[M-H]- 343.28538 188.3
[M+Na-2H]- 365.26733 189.9
[M]+ 344.29211 190.9
[M]- 344.29321 190.9
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

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