CID 24778508

1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol

Structural Information

Molecular Formula
C37H68O3
SMILES
CCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCCC1CCC2C(C1)C3C2C4C3CC4
InChI
InChI=1S/C37H68O3/c1-2-3-4-5-6-7-8-9-10-12-15-18-25-39-29-31(28-38)40-26-19-16-13-11-14-17-20-30-21-22-34-35(27-30)37-33-24-23-32(33)36(34)37/h30-38H,2-29H2,1H3/t30?,31-,32?,33?,34?,35?,36?,37?/m0/s1
InChIKey
FGVARFOTCMJLMG-DDELDKIOSA-N
Compound name
(2S)-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]-3-tetradecoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.51685 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.52413 230.7
[M+Na]+ 583.50607 223.6
[M-H]- 559.50957 229.8
[M+NH4]+ 578.55067 220.5
[M+K]+ 599.48001 226.0
[M+H-H2O]+ 543.51411 210.4
[M+HCOO]- 605.51505 232.8
[M+CH3COO]- 619.53070 266.9
[M+Na-2H]- 581.49152 222.0
[M]+ 560.51630 256.1
[M]- 560.51740 256.1
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.