CID 205694

Palmitic acid, 4-hydroxybutyl ester

Structural Information

Molecular Formula
C20H40O3
SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCO
InChI
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)23-19-16-15-18-21/h21H,2-19H2,1H3
InChIKey
XWFLUBQOIDFKOM-UHFFFAOYSA-N
Compound name
4-hydroxybutyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

328.29776 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.30504 188.7
[M+Na]+ 351.28698 195.2
[M+NH4]+ 346.33158 193.2
[M+K]+ 367.26092 187.5
[M-H]- 327.29048 186.2
[M+Na-2H]- 349.27243 187.7
[M]+ 328.29721 188.5
[M]- 328.29831 188.5
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