CID 131801693

Diacylglycerol(14:0/0:0/16:1)

Structural Information

Molecular Formula
C33H62O5
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C33H62O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h16,18,31,34H,3-15,17,19-30H2,1-2H3/b18-16-/t31-/m1/s1
InChIKey
IURSQZZYJNYILA-SYVZRPFGSA-N
Compound name
[(2R)-2-hydroxy-3-tetradecanoyloxypropyl] (Z)-hexadec-7-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

538.4597 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.46698 243.9
[M+Na]+ 561.44892 249.6
[M-H]- 537.45242 231.7
[M+NH4]+ 556.49352 246.3
[M+K]+ 577.42286 249.4
[M+H-H2O]+ 521.45696 244.4
[M+HCOO]- 583.45790 247.7
[M+CH3COO]- 597.47355 251.5
[M+Na-2H]- 559.43437 229.3
[M]+ 538.45915 243.4
[M]- 538.46025 243.4
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.