CID 53477948

Diacylglycerol(14:0/14:1)

Structural Information

Molecular Formula
C31H58O5
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C31H58O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,29,32H,3-9,11,13-28H2,1-2H3/b12-10-/t29-/m0/s1
InChIKey
YXMZUGRMRIHNJM-YFILLSJLSA-N
Compound name
[(2S)-3-hydroxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

510.42844 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.43572 240.1
[M+Na]+ 533.41766 241.4
[M+NH4]+ 528.46226 241.0
[M+K]+ 549.39160 240.2
[M-H]- 509.42116 227.7
[M+Na-2H]- 531.40311 240.8
[M]+ 510.42789 236.8
[M]- 510.42899 236.8
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.