CID 71768164

1-palmityl-2-methyl-3-oleoyl-sn-glycerol

Structural Information

Molecular Formula
C38H74O4
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC
InChI
InChI=1S/C38H74O4/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-38(39)42-36-37(40-3)35-41-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h18,20,37H,4-17,19,21-36H2,1-3H3/b20-18-/t37-/m1/s1
InChIKey
CEVZNCTVUSCKBM-XZRWTQCASA-N
Compound name
[(2R)-3-hexadecoxy-2-methoxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.5587 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.56598 264.0
[M+Na]+ 617.54792 264.4
[M+NH4]+ 612.59252 264.1
[M+K]+ 633.52186 264.4
[M-H]- 593.55142 246.6
[M+Na-2H]- 615.53337 261.8
[M]+ 594.55815 259.5
[M]- 594.55925 259.5
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.