CID 13848036

1-o-palmityl-3-oleoylglycerol

Structural Information

Molecular Formula
C37H72O4
SMILES
CCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C37H72O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(39)41-35-36(38)34-40-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,36,38H,3-16,18,20-35H2,1-2H3/b19-17-
InChIKey
OHCUOFSNZQBCEP-ZPHPHTNESA-N
Compound name
(3-hexadecoxy-2-hydroxypropyl) (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.5431 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.55038 258.2
[M+Na]+ 603.53232 262.5
[M-H]- 579.53582 241.3
[M+NH4]+ 598.57692 257.7
[M+K]+ 619.50626 264.0
[M+H-H2O]+ 563.54036 257.4
[M+HCOO]- 625.54130 261.8
[M+CH3COO]- 639.55695 261.5
[M+Na-2H]- 601.51777 241.0
[M]+ 580.54255 257.4
[M]- 580.54365 257.4
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

No patent data available for this compound.