CID 131802274

Dg(14:0/13:0/0:0)

Structural Information

Molecular Formula
C30H58O5
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C30H58O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-29(32)34-27-28(26-31)35-30(33)25-23-21-19-16-14-12-10-8-6-4-2/h28,31H,3-27H2,1-2H3/t28-/m0/s1
InChIKey
KJQBURXIWCFGCL-NDEPHWFRSA-N
Compound name
[(2S)-3-hydroxy-2-tridecanoyloxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.42844 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.43572 235.7
[M+Na]+ 521.41766 241.2
[M-H]- 497.42116 223.7
[M+NH4]+ 516.46226 237.7
[M+K]+ 537.39160 240.3
[M+H-H2O]+ 481.42570 236.5
[M+HCOO]- 543.42664 239.8
[M+CH3COO]- 557.44229 244.3
[M+Na-2H]- 519.40311 221.8
[M]+ 498.42789 235.5
[M]- 498.42899 235.5
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

No patent data available for this compound.