CID 53478056

Dg(18:0/24:1(15z)/0:0)

Structural Information

Molecular Formula
C45H86O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C45H86O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,43,46H,3-16,18,20-42H2,1-2H3/b19-17-/t43-/m0/s1
InChIKey
XVXCYAADSWJESF-URFWVIAFSA-N
Compound name
[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

706.6475 Da
Monoisotopic Mass

18.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 707.65478 284.3
[M+Na]+ 729.63672 287.8
[M-H]- 705.64022 267.5
[M+NH4]+ 724.68132 286.4
[M+K]+ 745.61066 292.7
[M+H-H2O]+ 689.64476 283.5
[M+HCOO]- 751.64570 283.5
[M+CH3COO]- 765.66135 284.2
[M+Na-2H]- 727.62217 264.6
[M]+ 706.64695 283.5
[M]- 706.64805 283.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.