CID 88540

2-butoxyethyl palmitate

Structural Information

Molecular Formula
C22H44O3
SMILES
CCCCCCCCCCCCCCCC(=O)OCCOCCCC
InChI
InChI=1S/C22H44O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22(23)25-21-20-24-19-6-4-2/h3-21H2,1-2H3
InChIKey
QSSAKBZMXVUORV-UHFFFAOYSA-N
Compound name
2-butoxyethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

356.32904 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.33632 196.9
[M+Na]+ 379.31826 203.5
[M+NH4]+ 374.36286 201.4
[M+K]+ 395.29220 195.0
[M-H]- 355.32176 194.8
[M+Na-2H]- 377.30371 196.0
[M]+ 356.32849 196.9
[M]- 356.32959 196.9
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