CID 53480997

Mg(24:1(15z)/0:0/0:0)

Structural Information

Molecular Formula
C27H52O4
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C27H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h9-10,26,28-29H,2-8,11-25H2,1H3/b10-9-/t26-/m0/s1
InChIKey
NVQGQHXFWUBOAU-IMHHWWNFSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

98
Patents

440.38657 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.39385 221.1
[M+Na]+ 463.37579 226.2
[M+NH4]+ 458.42039 223.5
[M+K]+ 479.34973 223.7
[M-H]- 439.37929 211.3
[M+Na-2H]- 461.36124 216.7
[M]+ 440.38602 220.6
[M]- 440.38712 220.6
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.