CID 9543792

Dg(16:0/22:2(13z,16z)/0:0)

Structural Information

Molecular Formula
C41H76O5
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42H,3-10,12,14-16,19-38H2,1-2H3/b13-11-,18-17-/t39-/m0/s1
InChIKey
ZJCSFJOHCINPOJ-QIXAIMDBSA-N
Compound name
[(2S)-1-hexadecanoyloxy-3-hydroxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

648.5693 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.57658 271.6
[M+Na]+ 671.55852 272.4
[M+NH4]+ 666.60312 272.1
[M+K]+ 687.53246 273.0
[M-H]- 647.56202 256.7
[M+Na-2H]- 669.54397 269.5
[M]+ 648.56875 267.9
[M]- 648.56985 267.9
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.