CID 53478024

Diacylglycerol(16:0/14:0)

Structural Information

Molecular Formula
C33H64O5
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m0/s1
InChIKey
YXWUQOYZMIXAFY-HKBQPEDESA-N
Compound name
[(2S)-3-hydroxy-2-tetradecanoyloxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

540.4754 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.48268 246.3
[M+Na]+ 563.46462 251.3
[M-H]- 539.46812 233.2
[M+NH4]+ 558.50922 248.3
[M+K]+ 579.43856 251.6
[M+H-H2O]+ 523.47266 246.7
[M+HCOO]- 585.47360 249.2
[M+CH3COO]- 599.48925 252.8
[M+Na-2H]- 561.45007 231.1
[M]+ 540.47485 245.9
[M]- 540.47595 245.9
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

patents stripe