CID 24778500

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

Structural Information

Molecular Formula
C23H40O3
SMILES
C1CC2C(CC1CCCCCCCCOC(CO)CO)C3C2C4C3CC4
InChI
InChI=1S/C23H40O3/c24-14-17(15-25)26-12-6-4-2-1-3-5-7-16-8-9-20-21(13-16)23-19-11-10-18(19)22(20)23/h16-25H,1-15H2
InChIKey
GJFCEMOCWVYDKT-UHFFFAOYSA-N
Compound name
2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.29776 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.30504 178.4
[M+Na]+ 387.28698 176.0
[M-H]- 363.29048 179.1
[M+NH4]+ 382.33158 174.2
[M+K]+ 403.26092 180.3
[M+H-H2O]+ 347.29502 160.5
[M+HCOO]- 409.29596 183.6
[M+CH3COO]- 423.31161 235.7
[M+Na-2H]- 385.27243 175.8
[M]+ 364.29721 199.7
[M]- 364.29831 199.7
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.