CID 20201

2-hydroxyethyl palmitate

Structural Information

Molecular Formula
C18H36O3
SMILES
CCCCCCCCCCCCCCCC(=O)OCCO
InChI
InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19/h19H,2-17H2,1H3
InChIKey
BXCRLBBIZJSWNS-UHFFFAOYSA-N
Compound name
2-hydroxyethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

3250
Patents

300.26645 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.273726 182.4
[M+Na]+ 323.255668 184.2
[M-H]- 299.259174 179.0
[M+NH4]+ 318.300273 197.0
[M+K]+ 339.229608 181.2
[M+H-H2O]+ 283.263710 175.6
[M+HCOO]- 345.264651 200.6
[M+CH3COO]- 359.280301 205.7
[M+Na-2H]- 321.241116 181.2
[M]+ 300.26590142 189.2
[M]- 300.26699858 189.2
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