CID 131779638

Mg(a-17:0/0:0/0:0)[rac]

Structural Information

Molecular Formula
C20H40O4
SMILES
CCC(C)CCCCCCCCCCCCC(=O)OC[C@@H](CO)O
InChI
InChI=1S/C20H40O4/c1-3-18(2)14-12-10-8-6-4-5-7-9-11-13-15-20(23)24-17-19(22)16-21/h18-19,21-22H,3-17H2,1-2H3/t18?,19-/m1/s1
InChIKey
SOINBWUVDKDCCA-MUMRKEEXSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 14-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.29266 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29994 191.9
[M+Na]+ 367.28188 196.6
[M+NH4]+ 362.32648 195.2
[M+K]+ 383.25582 191.4
[M-H]- 343.28538 187.8
[M+Na-2H]- 365.26733 189.1
[M]+ 344.29211 190.8
[M]- 344.29321 190.8
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

No patent data available for this compound.