CID 9971493

8-[3]-ladderane-1-octanol

Structural Information

Molecular Formula
C20H34O
SMILES
C1CC2C(CC1CCCCCCCCO)C3C2C4C3CC4
InChI
InChI=1S/C20H34O/c21-12-6-4-2-1-3-5-7-14-8-9-17-18(13-14)20-16-11-10-15(16)19(17)20/h14-21H,1-13H2
InChIKey
ZUEUBOPHBYHSPF-UHFFFAOYSA-N
Compound name
8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 156.8
[M+Na]+ 313.25018 157.3
[M-H]- 289.25368 159.6
[M+NH4]+ 308.29478 156.2
[M+K]+ 329.22412 161.0
[M+H-H2O]+ 273.25822 140.3
[M+HCOO]- 335.25916 165.1
[M+CH3COO]- 349.27481 227.3
[M+Na-2H]- 311.23563 157.5
[M]+ 290.26041 177.5
[M]- 290.26151 177.5
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.