CID 71728387

1-butyryl-2-oleoyl-sn-glycerol

Structural Information

Molecular Formula
C25H46O5
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC
InChI
InChI=1S/C25H46O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(28)30-23(21-26)22-29-24(27)19-4-2/h11-12,23,26H,3-10,13-22H2,1-2H3/b12-11-/t23-/m0/s1
InChIKey
KSOVALZHNUYBPU-DGVDTQEHSA-N
Compound name
[(2S)-1-butanoyloxy-3-hydroxypropan-2-yl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

426.33453 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.34181 213.4
[M+Na]+ 449.32375 221.0
[M+NH4]+ 444.36835 220.2
[M+K]+ 465.29769 218.7
[M-H]- 425.32725 208.8
[M+Na-2H]- 447.30920 209.4
[M]+ 426.33398 216.3
[M]- 426.33508 216.3
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.