CID 66973

Hexadecanoic acid, 2-methoxyethyl ester

Structural Information

Molecular Formula
C19H38O3
SMILES
CCCCCCCCCCCCCCCC(=O)OCCOC
InChI
InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20)22-18-17-21-2/h3-18H2,1-2H3
InChIKey
XSZLSYXBQSOQJE-UHFFFAOYSA-N
Compound name
2-methoxyethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

314.2821 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.28938 186.5
[M+Na]+ 337.27132 188.4
[M-H]- 313.27482 184.4
[M+NH4]+ 332.31592 201.3
[M+K]+ 353.24526 186.1
[M+H-H2O]+ 297.27936 179.3
[M+HCOO]- 359.28030 205.9
[M+CH3COO]- 373.29595 211.3
[M+Na-2H]- 335.25677 185.4
[M]+ 314.28155 195.7
[M]- 314.28265 195.7
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