CID 137323838

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

Structural Information

Molecular Formula
C23H40O3
SMILES
C1CC2C3CCC(CC3C2C=C1)CCCCCCCCOC(CO)CO
InChI
InChI=1S/C23H40O3/c24-16-19(17-25)26-14-8-4-2-1-3-5-9-18-12-13-22-20-10-6-7-11-21(20)23(22)15-18/h7,11,18-25H,1-6,8-10,12-17H2
InChIKey
WEZFKXBMYVYDCN-UHFFFAOYSA-N
Compound name
2-[8-(1,2,3,4,4a,4b,5,6,8a,8b-decahydrobiphenylen-2-yl)octoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.29776 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.30504 192.5
[M+Na]+ 387.28698 190.7
[M-H]- 363.29048 191.5
[M+NH4]+ 382.33158 198.8
[M+K]+ 403.26092 189.1
[M+H-H2O]+ 347.29502 179.8
[M+HCOO]- 409.29596 200.8
[M+CH3COO]- 423.31161 218.4
[M+Na-2H]- 385.27243 190.1
[M]+ 364.29721 199.2
[M]- 364.29831 199.2
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.