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 262.5
[M+Na]+ 617.54792 267.7
[M-H]- 593.55142 245.7
[M+NH4]+ 612.59252 264.3
[M+K]+ 633.52186 269.6
[M+H-H2O]+ 577.55596 262.8
[M+HCOO]- 639.55690 267.5
[M+CH3COO]- 653.57255 266.7
[M+Na-2H]- 615.53337 245.7
[M]+ 594.55815 263.1
[M]- 594.55925 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.