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
2
Annotation Hits

0
References

95
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 199.9
[M+Na]+ 379.31826 200.5
[M-H]- 355.32176 197.2
[M+NH4]+ 374.36286 212.9
[M+K]+ 395.29220 197.4
[M+H-H2O]+ 339.32630 192.1
[M+HCOO]- 401.32724 218.3
[M+CH3COO]- 415.34289 220.1
[M+Na-2H]- 377.30371 197.2
[M]+ 356.32849 210.2
[M]- 356.32959 210.2
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