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
2
Annotation Hits

0
References

78
Patents

344.29266 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.299936 193.7
[M+Na]+ 367.281878 194.6
[M-H]- 343.285384 189.9
[M+NH4]+ 362.326483 206.4
[M+K]+ 383.255818 191.7
[M+H-H2O]+ 327.289920 186.3
[M+HCOO]- 389.290861 211.5
[M+CH3COO]- 403.306511 213.5
[M+Na-2H]- 365.267326 191.6
[M]+ 344.29211142 202.8
[M]- 344.29320858 202.8
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