CID 56936302

1-dodecanoyl-2-(9z,12z-heptadecadienoyl)-sn-glycerol

Structural Information

Molecular Formula
C32H58O5
SMILES
CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
InChI
InChI=1S/C32H58O5/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(35)37-30(28-33)29-36-31(34)26-24-22-20-18-12-10-8-6-4-2/h9,11,14-15,30,33H,3-8,10,12-13,16-29H2,1-2H3/b11-9-,15-14-/t30-/m0/s1
InChIKey
GZCNJZBJTMDVCJ-UQYJLNGWSA-N
Compound name
[(2S)-1-dodecanoyloxy-3-hydroxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.4284 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.43568 238.2
[M+Na]+ 545.41762 244.6
[M-H]- 521.42112 227.2
[M+NH4]+ 540.46222 240.9
[M+K]+ 561.39156 243.6
[M+H-H2O]+ 505.42566 238.9
[M+HCOO]- 567.42660 243.3
[M+CH3COO]- 581.44225 247.4
[M+Na-2H]- 543.40307 224.5
[M]+ 522.42785 237.5
[M]- 522.42895 237.5
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

No patent data available for this compound.