CID 137323874

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

Structural Information

Molecular Formula
C37H68O3
SMILES
CCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCCC1CCC2C(C1)C3C2C=CCC3
InChI
InChI=1S/C37H68O3/c1-2-3-4-5-6-7-8-9-10-12-15-20-27-39-31-33(30-38)40-28-21-16-13-11-14-17-22-32-25-26-36-34-23-18-19-24-35(34)37(36)29-32/h18,23,32-38H,2-17,19-22,24-31H2,1H3/t32?,33-,34?,35?,36?,37?/m0/s1
InChIKey
MCIDTDBOQOYULT-XVYWXPMMSA-N
Compound name
(2S)-2-[8-(1,2,3,4,4a,4b,7,8,8a,8b-decahydrobiphenylen-2-yl)octoxy]-3-tetradecoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.51685 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.52413 253.6
[M+Na]+ 583.50607 245.9
[M-H]- 559.50957 250.7
[M+NH4]+ 578.55067 252.3
[M+K]+ 599.48001 242.1
[M+H-H2O]+ 543.51411 237.9
[M+HCOO]- 605.51505 258.3
[M+CH3COO]- 619.53070 259.7
[M+Na-2H]- 581.49152 244.1
[M]+ 560.51630 266.2
[M]- 560.51740 266.2
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.