CID 137323839

2-(8-[5]-ladderane-octanyl)-sn-glycerol

Structural Information

Molecular Formula
C23H38O3
SMILES
C1CC2C1C3C2C4C3C5C4C(C5)CCCCCCCCOC(CO)CO
InChI
InChI=1S/C23H38O3/c24-12-15(13-25)26-10-6-4-2-1-3-5-7-14-11-18-19(14)23-21-17-9-8-16(17)20(21)22(18)23/h14-25H,1-13H2
InChIKey
KOZUCAWHYAYDQJ-UHFFFAOYSA-N
Compound name
2-[8-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)octoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2821 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28938 184.5
[M+Na]+ 385.27132 182.7
[M-H]- 361.27482 186.7
[M+NH4]+ 380.31592 176.1
[M+K]+ 401.24526 188.1
[M+H-H2O]+ 345.27936 168.2
[M+HCOO]- 407.28030 186.6
[M+CH3COO]- 421.29595 259.1
[M+Na-2H]- 383.25677 179.9
[M]+ 362.28155 207.2
[M]- 362.28265 207.2
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.