CID 169492810

Chebi:228204

Structural Information

Molecular Formula
C37H68O5
SMILES
CCCCCC/C=C\CCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35,38H,3-12,17-34H2,1-2H3/b15-13-,16-14-/t35-/m1/s1
InChIKey
ALQHHSSCPZYZAG-NAFNZUQFSA-N
Compound name
[(2R)-2-[(Z)-heptadec-10-enoyl]oxy-3-hydroxypropyl] (Z)-heptadec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.50665 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.51393 258.2
[M+Na]+ 615.49587 259.4
[M+NH4]+ 610.54047 258.8
[M+K]+ 631.46981 259.2
[M-H]- 591.49937 244.5
[M+Na-2H]- 613.48132 257.4
[M]+ 592.50610 254.7
[M]- 592.50720 254.7
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.