CID 24778509

1-(15-methyl-tridecanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol

Structural Information

Molecular Formula
C37H68O3
SMILES
CC(C)CCCCCCCCCCCOC[C@H](CO)OCCCCCCCCC1CCC2C(C1)C3C2C4C3CC4
InChI
InChI=1S/C37H68O3/c1-29(2)18-14-10-6-4-3-5-8-12-16-24-39-28-31(27-38)40-25-17-13-9-7-11-15-19-30-20-21-34-35(26-30)37-33-23-22-32(33)36(34)37/h29-38H,3-28H2,1-2H3/t30?,31-,32?,33?,34?,35?,36?,37?/m0/s1
InChIKey
MOIBWRYNCRAQIJ-DDELDKIOSA-N
Compound name
(2S)-3-(12-methyltridecoxy)-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.51685 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.52413 235.5
[M+Na]+ 583.50607 228.0
[M-H]- 559.50957 234.5
[M+NH4]+ 578.55067 225.1
[M+K]+ 599.48001 230.9
[M+H-H2O]+ 543.51411 215.1
[M+HCOO]- 605.51505 236.6
[M+CH3COO]- 619.53070 267.5
[M+Na-2H]- 581.49152 225.4
[M]+ 560.51630 260.2
[M]- 560.51740 260.2
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.