CID 131801844

Diacylglycerol(14:1/0:0/14:1)

Structural Information

Molecular Formula
C31H56O5
SMILES
CCCCCCCC/C=C\CCCC(=O)OCC(O)COC(=O)CCC/C=C\CCCCCCCC
InChI
InChI=1S/C31H56O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-27-29(32)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,29,32H,3-16,21-28H2,1-2H3/b19-17-,20-18-
InChIKey
HLHDHRLWUZRJSS-CLFAGFIQSA-N
Compound name
[2-hydroxy-3-[(Z)-tetradec-5-enoyl]oxypropyl] (Z)-tetradec-5-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

508.41278 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.42006 234.7
[M+Na]+ 531.40200 241.3
[M-H]- 507.40550 224.0
[M+NH4]+ 526.44660 237.4
[M+K]+ 547.37594 239.9
[M+H-H2O]+ 491.41004 235.5
[M+HCOO]- 553.41098 240.2
[M+CH3COO]- 567.42663 244.5
[M+Na-2H]- 529.38745 221.5
[M]+ 508.41223 234.1
[M]- 508.41333 234.1
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.