CID 56936298

1,2-ditridecanoyl-sn-glycerol

Structural Information

Molecular Formula
C29H56O5
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C29H56O5/c1-3-5-7-9-11-13-15-17-19-21-23-28(31)33-26-27(25-30)34-29(32)24-22-20-18-16-14-12-10-8-6-4-2/h27,30H,3-26H2,1-2H3/t27-/m0/s1
InChIKey
QXGRLCRBRMPOQO-MHZLTWQESA-N
Compound name
[(2S)-3-hydroxy-2-tridecanoyloxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

484.41278 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.42006 235.8
[M+Na]+ 507.40200 236.8
[M+NH4]+ 502.44660 236.7
[M+K]+ 523.37594 235.2
[M-H]- 483.40550 223.3
[M+Na-2H]- 505.38745 236.7
[M]+ 484.41223 232.4
[M]- 484.41333 232.4
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