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]+ 595.565976 262.5
[M+Na]+ 617.547918 267.7
[M-H]- 593.551424 245.7
[M+NH4]+ 612.592523 264.3
[M+K]+ 633.521858 269.6
[M+H-H2O]+ 577.555960 262.8
[M+HCOO]- 639.556901 267.5
[M+CH3COO]- 653.572551 266.7
[M+Na-2H]- 615.533366 245.7
[M]+ 594.55815142 263.1
[M]- 594.55924858 263.1
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.